
 CHEMBL2204933

 50 55  0  0  0  0  0  0  0  0999 V2000
    1.8536   -1.7429    1.6429 C   0  0  0  0  0
    2.8829   -0.7287    1.3598 C   0  0  0  0  0
    4.1620   -0.8788    1.1051 N   0  0  0  0  0
    4.5869    0.4287    0.9791 C   0  0  0  0  0
    3.6079    1.3437    1.0776 N   0  0  0  0  0
    2.4765    0.5735    1.3555 O   0  0  0  0  0
    6.0229    0.7970    0.6657 C   0  0  0  0  0
    6.6244    1.7325    1.6662 C   0  0  0  0  0
    7.6263    1.4471    2.5691 C   0  0  0  0  0
    8.2619    0.1021    2.6041 C   0  0  0  0  0
    7.3788   -0.9256    1.8381 C   0  0  0  0  0
    6.8742   -0.4245    0.5227 N   0  0  0  0  0
    8.1703   -2.1876    1.6206 C   0  0  0  0  0
    8.2736   -3.2224    2.4276 N   0  0  0  0  0
    9.1031   -4.1062    1.7828 C   0  0  0  0  0
    9.5161   -3.6203    0.5554 C   0  0  0  0  0
    8.9206   -2.3839    0.4868 N   0  0  0  0  0
   10.3776   -4.1792   -0.4823 C   0  0  0  0  0
   10.1988   -3.8394   -1.8335 C   0  0  0  0  0
   11.0263   -4.3827   -2.8203 C   0  0  0  0  0
   12.0340   -5.2671   -2.4594 C   0  0  0  0  0
   12.2289   -5.6209   -1.1311 C   0  0  0  0  0
   11.4004   -5.0793   -0.1443 C   0  0  0  0  0
   12.8261   -5.7871   -3.4056 F   0  0  0  0  0
    7.8606    2.6123    3.3449 C   0  0  0  0  0
    8.7307    2.9331    4.4042 C   0  0  0  0  0
    8.6923    4.2183    4.9586 C   0  0  0  0  0
    7.8070    5.1770    4.4707 C   0  0  0  0  0
    6.9331    4.8828    3.4200 C   0  0  0  0  0
    6.9813    3.5931    2.8777 C   0  0  0  0  0
    6.2398    3.0325    1.8593 N   0  0  0  0  0
    0.9634   -1.5738    1.0297 H   0  0  0  0  0
    1.5623   -1.7056    2.6967 H   0  0  0  0  0
    2.2313   -2.7466    1.4267 H   0  0  0  0  0
    6.0230    1.2875   -0.3164 H   0  0  0  0  0
    9.2578    0.1746    2.1480 H   0  0  0  0  0
    8.4005   -0.2279    3.6408 H   0  0  0  0  0
    6.5166   -1.1839    2.4681 H   0  0  0  0  0
    6.2423   -1.1513    0.1711 H   0  0  0  0  0
    9.3499   -5.0591    2.2331 H   0  0  0  0  0
    8.9905   -1.7110   -0.2637 H   0  0  0  0  0
    9.4027   -3.1658   -2.1402 H   0  0  0  0  0
   10.8861   -4.1258   -3.8654 H   0  0  0  0  0
   13.0224   -6.3136   -0.8695 H   0  0  0  0  0
   11.5707   -5.3597    0.8927 H   0  0  0  0  0
    9.4222    2.1916    4.7934 H   0  0  0  0  0
    9.3603    4.4674    5.7798 H   0  0  0  0  0
    7.7927    6.1692    4.9153 H   0  0  0  0  0
    6.2432    5.6312    3.0447 H   0  0  0  0  0
    5.4983    3.5076    1.3610 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  7 12  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  8  9  2  0  0  0
  8 31  1  0  0  0
  9 10  1  0  0  0
  9 25  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 10 37  1  0  0  0
 11 12  1  0  0  0
 11 13  1  0  0  0
 11 38  1  0  0  0
 12 39  1  0  0  0
 13 14  2  0  0  0
 13 17  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 40  1  0  0  0
 16 17  1  0  0  0
 16 18  1  0  0  0
 17 41  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 42  1  0  0  0
 20 21  2  0  0  0
 20 43  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 22 44  1  0  0  0
 23 45  1  0  0  0
 25 30  1  0  0  0
 25 26  2  0  0  0
 26 27  1  0  0  0
 26 46  1  0  0  0
 27 28  2  0  0  0
 27 47  1  0  0  0
 28 29  1  0  0  0
 28 48  1  0  0  0
 29 30  2  0  0  0
 29 49  1  0  0  0
 30 31  1  0  0  0
 31 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2204933

>  <PubChem CID>
71452297

>  <Formula>
C23H19FN6O

>  <Molecular Weight>
414.444000

>  <IUPAC Name>
3-[(1R,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]-5-methyl-1,2,4-oxadiazole

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=NC(=NO1)C2C3=C(CC(N2)C4=NC=C(N4)C5=CC=C(C=C5)F)C6=CC=CC=C6N3

>  <Isomeric SMILES>
CC1=NC(=NO1)[C@H]2C3=C(C[C@@H](N2)C4=NC=C(N4)C5=CC=C(C=C5)F)C6=CC=CC=C6N3

>  <InChI Std. ID>
InChI=1S/C23H19FN6O/c1-12-26-23(30-31-12)21-20-16(15-4-2-3-5-17(15)27-20)10-18(28-21)22-25-11-19(29-22)13-6-8-14(24)9-7-13/h2-9,11,18,21,27-28H,10H2,1H3,(H,25,29)/t18-,21-/m1/s1

>  <InChI Key>
RMUNXROCBCEXAA-WIYYLYMNSA-N

