
 CHEMBL277452

 82 87  0  0  0  0  0  0  0  0999 V2000
    1.9040   -1.4221   -0.5386 C   0  0  0  0  0
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    3.2939    1.8372    0.7515 C   0  0  0  0  0
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    4.6223    5.5775    5.7044 H   0  0  0  0  0
    5.7830    7.6693    6.0621 H   0  0  0  0  0
    4.9568    7.7513    4.5160 H   0  0  0  0  0
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    8.9075    5.1908    6.1193 H   0  0  0  0  0
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    6.5051    5.0984    6.9426 H   0  0  0  0  0
   10.7884    5.6002    4.2927 H   0  0  0  0  0
   12.6856    7.2071    4.0493 H   0  0  0  0  0
    8.3626   10.0549    5.4447 H   0  0  0  0  0
   12.0660   12.1119    4.6555 H   0  0  0  0  0
   13.1906    9.9527    4.1844 H   0  0  0  0  0
    8.0422   11.8113    6.6219 H   0  0  0  0  0
    8.0215   13.5122    6.3026 H   0  0  0  0  0
    3.6400   -2.3745   -5.2718 H   0  0  0  0  0
    2.4389   -3.7305   -6.9861 H   0  0  0  0  0
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  1  6  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL277452

>  <PubChem CID>
44458045

>  <Formula>
C34H40N6O2

>  <Molecular Weight>
564.734000

>  <IUPAC Name>
3-[4-[4-[[4-(5-carbamoyl-1H-indol-3-yl)cyclohex-3-en-1-yl]amino]butylamino]cyclohexen-1-yl]-1H-indole-5-carboxamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
6

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC(=CCC1NCCCCNC2CCC(=CC2)C3=CNC4=C3C=C(C=C4)C(=O)N)C5=CNC6=C5C=C(C=C6)C(=O)N

>  <Isomeric SMILES>
C1CC(=CCC1NCCCCNC2CCC(=CC2)C3=CNC4=C3C=C(C=C4)C(=O)N)C5=CNC6=C5C=C(C=C6)C(=O)N

>  <InChI Std. ID>
InChI=1S/C34H40N6O2/c35-33(41)23-7-13-31-27(17-23)29(19-39-31)21-3-9-25(10-4-21)37-15-1-2-16-38-26-11-5-22(6-12-26)30-20-40-32-14-8-24(34(36)42)18-28(30)32/h3,5,7-8,13-14,17-20,25-26,37-40H,1-2,4,6,9-12,15-16H2,(H2,35,41)(H2,36,42)

>  <InChI Key>
COSYVLIRDFEWDN-UHFFFAOYSA-N

