
 SCHEMBL932393

 66 70  0  0  0  0  0  0  0  0999 V2000
    0.8534    0.0057   -4.8618 C   0  0  0  0  0
    1.4761    1.0158   -3.9274 C   0  0  0  0  0
    2.6569    0.8934   -3.6030 O   0  0  0  0  0
    0.6325    2.0295   -3.5104 N   0  0  0  0  0
   -0.7870    2.1727   -3.8769 C   0  0  0  0  0
   -1.3119    3.4550   -3.2214 C   0  0  0  0  0
   -0.1260    3.9120   -2.4365 C   0  0  0  0  0
    0.9724    3.0788   -2.6371 C   0  0  0  0  0
    2.1740    3.3399   -2.0058 C   0  0  0  0  0
    2.2604    4.4576   -1.1658 C   0  0  0  0  0
    1.1577    5.3158   -0.9636 C   0  0  0  0  0
   -0.0548    5.0200   -1.6026 C   0  0  0  0  0
    1.2999    6.4757    0.0028 C   0  0  0  0  0
    0.4798    7.7313   -0.3548 C   0  0  0  0  0
    0.7437    8.8879    0.5246 N   0  0  0  0  0
    0.3076    8.6353    1.9206 C   0  0  0  0  0
    0.4609    9.8663    2.8479 C   0  0  0  0  0
   -0.2434   11.0354    2.2750 N   0  0  0  0  0
    0.2180   11.3245    0.9031 C   0  0  0  0  0
    0.0175   10.0792    0.0099 C   0  0  0  0  0
   -0.2451   12.1274    3.1733 C   0  0  0  0  0
    0.6007   13.2579    3.1625 C   0  0  0  0  0
    0.5373   14.3022    4.0826 C   0  0  0  0  0
   -0.4276   14.2594    5.1003 C   0  0  0  0  0
   -1.2723   13.1543    5.1526 C   0  0  0  0  0
   -1.1856   12.1193    4.2256 C   0  0  0  0  0
   -2.1932   13.0854    6.1237 F   0  0  0  0  0
    1.5618   15.2118    3.7174 C   0  0  0  0  0
    2.2335   14.6644    2.6391 C   0  0  0  0  0
    1.6226   13.4933    2.2841 O   0  0  0  0  0
    3.3689   15.1983    1.8985 C   0  0  0  0  0
    3.6396   16.3996    1.9764 O   0  0  0  0  0
    4.1652   14.3471    1.1188 N   0  0  0  0  0
    4.0124   12.9038    1.0408 C   0  0  0  0  0
    5.1943   14.9255    0.2710 C   0  0  0  0  0
   -0.0008   -0.4808   -4.3841 H   0  0  0  0  0
    1.5905   -0.7656   -5.1058 H   0  0  0  0  0
    0.5463    0.4914   -5.7916 H   0  0  0  0  0
   -0.8823    2.2125   -4.9673 H   0  0  0  0  0
   -1.3338    1.2935   -3.5174 H   0  0  0  0  0
   -1.5892    4.1972   -3.9767 H   0  0  0  0  0
   -2.1702    3.2486   -2.5751 H   0  0  0  0  0
    3.0413    2.7021   -2.1376 H   0  0  0  0  0
    3.2046    4.6540   -0.6601 H   0  0  0  0  0
   -0.9401    5.6298   -1.4572 H   0  0  0  0  0
    2.3582    6.7638    0.0575 H   0  0  0  0  0
    1.0139    6.1005    0.9921 H   0  0  0  0  0
   -0.5924    7.5005   -0.3441 H   0  0  0  0  0
    0.7349    8.0112   -1.3859 H   0  0  0  0  0
    0.9055    7.8284    2.3575 H   0  0  0  0  0
   -0.7427    8.3147    1.9330 H   0  0  0  0  0
    0.0496    9.6051    3.8308 H   0  0  0  0  0
    1.5272   10.0951    2.9797 H   0  0  0  0  0
   -0.3527   12.1597    0.4797 H   0  0  0  0  0
    1.2812   11.5805    0.8891 H   0  0  0  0  0
   -1.0569    9.8643   -0.0689 H   0  0  0  0  0
    0.3815   10.3202   -0.9962 H   0  0  0  0  0
   -0.5161   15.0494    5.8379 H   0  0  0  0  0
   -1.8841   11.2904    4.3106 H   0  0  0  0  0
    1.8132   16.1498    4.1941 H   0  0  0  0  0
    3.7695   12.4836    2.0194 H   0  0  0  0  0
    4.9477   12.4470    0.7030 H   0  0  0  0  0
    3.2262   12.6773    0.3169 H   0  0  0  0  0
    5.2558   16.0123    0.3628 H   0  0  0  0  0
    4.9720   14.6733   -0.7700 H   0  0  0  0  0
    6.1613   14.4963    0.5511 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 39  1  0  0  0
  5 40  1  0  0  0
  6  7  1  0  0  0
  6 41  1  0  0  0
  6 42  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 43  1  0  0  0
 10 11  1  0  0  0
 10 44  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 12 45  1  0  0  0
 13 14  1  0  0  0
 13 46  1  0  0  0
 13 47  1  0  0  0
 14 15  1  0  0  0
 14 48  1  0  0  0
 14 49  1  0  0  0
 15 20  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 50  1  0  0  0
 16 51  1  0  0  0
 17 18  1  0  0  0
 17 52  1  0  0  0
 17 53  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  1  0  0  0
 19 54  1  0  0  0
 19 55  1  0  0  0
 20 56  1  0  0  0
 20 57  1  0  0  0
 21 26  1  0  0  0
 21 22  2  0  0  0
 22 30  1  0  0  0
 22 23  1  0  0  0
 23 28  1  0  0  0
 23 24  2  0  0  0
 24 25  1  0  0  0
 24 58  1  0  0  0
 25 26  2  0  0  0
 25 27  1  0  0  0
 26 59  1  0  0  0
 28 29  2  0  0  0
 28 60  1  0  0  0
 29 30  1  0  0  0
 29 31  1  0  0  0
 31 33  1  0  0  0
 31 32  2  0  0  0
 33 35  1  0  0  0
 33 34  1  0  0  0
 34 61  1  0  0  0
 34 62  1  0  0  0
 34 63  1  0  0  0
 35 64  1  0  0  0
 35 65  1  0  0  0
 35 66  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL932393

>  <PubChem CID>
59636778

>  <Formula>
C27H31FN4O3

>  <Molecular Weight>
478.568000

>  <IUPAC Name>
7-[4-[2-(1-acetyl-2,3-dihydroindol-5-yl)ethyl]piperazin-1-yl]-5-fluoro-N,N-dimethyl-1-benzofuran-2-carboxamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(=O)N1CCC2=C1C=CC(=C2)CCN3CCN(CC3)C4=C5C(=CC(=C4)F)C=C(O5)C(=O)N(C)C

>  <Isomeric SMILES>
CC(=O)N1CCC2=C1C=CC(=C2)CCN3CCN(CC3)C4=C5C(=CC(=C4)F)C=C(O5)C(=O)N(C)C

>  <InChI Std. ID>
InChI=1S/C27H31FN4O3/c1-18(33)32-9-7-20-14-19(4-5-23(20)32)6-8-30-10-12-31(13-11-30)24-17-22(28)15-21-16-25(35-26(21)24)27(34)29(2)3/h4-5,14-17H,6-13H2,1-3H3

>  <InChI Key>
BOJKVAPAYVHEQV-UHFFFAOYSA-N

