
 CHEMBL196599

 63 67  0  0  0  0  0  0  0  0999 V2000
    2.5932    3.7474   -4.8754 C   0  0  0  0  0
    3.1198    2.4946   -5.5670 C   0  0  0  0  0
    3.6379    1.6210   -4.4343 C   0  0  0  0  0
    4.2783    2.6412   -3.4937 C   0  0  0  0  0
    3.2684    3.7944   -3.5029 C   0  0  0  0  0
    4.5178    2.1712   -2.1311 N   0  0  0  0  0
    5.5073    1.0859   -2.0767 C   0  0  0  0  0
    5.7541    0.6399   -0.6333 C   0  0  0  0  0
    6.6033   -0.5359   -0.5880 N   0  0  0  0  0
    6.1850   -1.8447   -0.5856 C   0  0  0  0  0
    7.3491   -2.6053   -0.5859 C   0  0  0  0  0
    7.2555   -4.0129   -0.5930 C   0  0  0  0  0
    5.9870   -4.6207   -0.5927 C   0  0  0  0  0
    4.8435   -3.8176   -0.5907 C   0  0  0  0  0
    4.9158   -2.4217   -0.5930 C   0  0  0  0  0
    5.9450   -6.0374   -0.5853 N   0  0  0  0  0
    4.8062   -6.8311   -0.5889 C   0  0  0  0  0
    3.6607   -6.4009   -0.6416 O   0  0  0  0  0
    5.1304   -8.1791   -0.5076 N   0  0  0  0  0
    4.2118   -9.2511   -0.5132 C   0  0  0  0  0
    2.8590   -9.1153   -0.8364 C   0  0  0  0  0
    1.9891  -10.2048   -0.7594 C   0  0  0  0  0
    2.4635  -11.4517   -0.3638 C   0  0  0  0  0
    3.8269  -11.6223   -0.1196 C   0  0  0  0  0
    4.6936  -10.5237   -0.1783 C   0  0  0  0  0
    1.5276  -12.4579   -0.3141 O   0  0  0  0  0
    1.6502  -13.4571    0.6229 C   0  0  0  0  0
    1.1954  -14.7160    0.2292 C   0  0  0  0  0
    1.2765  -15.7970    1.1065 C   0  0  0  0  0
    1.8061  -15.6166    2.3835 C   0  0  0  0  0
    2.2243  -14.3512    2.7944 C   0  0  0  0  0
    2.1250  -13.2653    1.9231 C   0  0  0  0  0
    8.3916   -1.6524   -0.5797 C   0  0  0  0  0
    7.9443   -0.3914   -0.5842 N   0  0  0  0  0
    2.8077    4.6447   -5.4652 H   0  0  0  0  0
    1.5052    3.6888   -4.7517 H   0  0  0  0  0
    3.9435    2.7623   -6.2401 H   0  0  0  0  0
    2.3505    1.9936   -6.1620 H   0  0  0  0  0
    2.8047    1.0990   -3.9479 H   0  0  0  0  0
    4.3490    0.8723   -4.7970 H   0  0  0  0  0
    5.2193    3.0015   -3.9314 H   0  0  0  0  0
    2.5058    3.6665   -2.7237 H   0  0  0  0  0
    3.7569    4.7580   -3.3227 H   0  0  0  0  0
    4.8426    2.9561   -1.5645 H   0  0  0  0  0
    6.4537    1.4141   -2.5234 H   0  0  0  0  0
    5.1506    0.2270   -2.6567 H   0  0  0  0  0
    4.8121    0.3930   -0.1283 H   0  0  0  0  0
    6.2419    1.4296   -0.0482 H   0  0  0  0  0
    8.1648   -4.6043   -0.5952 H   0  0  0  0  0
    3.8456   -4.2435   -0.5902 H   0  0  0  0  0
    4.0071   -1.8258   -0.5982 H   0  0  0  0  0
    6.8334   -6.5114   -0.6246 H   0  0  0  0  0
    6.0793   -8.4043   -0.2599 H   0  0  0  0  0
    2.4373   -8.1672   -1.1572 H   0  0  0  0  0
    0.9379  -10.0705   -1.0016 H   0  0  0  0  0
    4.2278  -12.6007    0.1302 H   0  0  0  0  0
    5.7424  -10.6799    0.0568 H   0  0  0  0  0
    0.7801  -14.8547   -0.7663 H   0  0  0  0  0
    0.9274  -16.7770    0.7938 H   0  0  0  0  0
    1.8822  -16.4620    3.0643 H   0  0  0  0  0
    2.6226  -14.2082    3.7965 H   0  0  0  0  0
    2.4257  -12.2794    2.2688 H   0  0  0  0  0
    9.4587   -1.8261   -0.5754 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  2 37  1  0  0  0
  2 38  1  0  0  0
  3  4  1  0  0  0
  3 39  1  0  0  0
  3 40  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  4 41  1  0  0  0
  5 42  1  0  0  0
  5 43  1  0  0  0
  6  7  1  0  0  0
  6 44  1  0  0  0
  7  8  1  0  0  0
  7 45  1  0  0  0
  7 46  1  0  0  0
  8  9  1  0  0  0
  8 47  1  0  0  0
  8 48  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 33  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 49  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 50  1  0  0  0
 15 51  1  0  0  0
 16 17  1  0  0  0
 16 52  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  1  0  0  0
 19 53  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 54  1  0  0  0
 22 23  2  0  0  0
 22 55  1  0  0  0
 23 24  1  0  0  0
 23 26  1  0  0  0
 24 25  2  0  0  0
 24 56  1  0  0  0
 25 57  1  0  0  0
 26 27  1  0  0  0
 27 28  2  0  0  0
 27 32  1  0  0  0
 28 29  1  0  0  0
 28 58  1  0  0  0
 29 30  2  0  0  0
 29 59  1  0  0  0
 30 31  1  0  0  0
 30 60  1  0  0  0
 31 32  2  0  0  0
 31 61  1  0  0  0
 32 62  1  0  0  0
 33 34  2  0  0  0
 33 63  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL196599

>  <PubChem CID>
44402677

>  <Formula>
C27H29N5O2

>  <Molecular Weight>
455.562000

>  <IUPAC Name>
1-[1-[2-(cyclopentylamino)ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCC(C1)NCCN2C3=C(C=C(C=C3)NC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)C=N2

>  <Isomeric SMILES>
C1CCC(C1)NCCN2C3=C(C=C(C=C3)NC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)C=N2

>  <InChI Std. ID>
InChI=1S/C27H29N5O2/c33-27(30-22-10-13-25(14-11-22)34-24-8-2-1-3-9-24)31-23-12-15-26-20(18-23)19-29-32(26)17-16-28-21-6-4-5-7-21/h1-3,8-15,18-19,21,28H,4-7,16-17H2,(H2,30,31,33)

>  <InChI Key>
JGSWRBZQDGUIET-UHFFFAOYSA-N

