
 CHEMBL21507

 78 82  0  0  0  0  0  0  0  0999 V2000
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    3.7782   -6.9908    0.0140 H   0  0  0  0  0
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    3.3276   -8.9135   -3.2699 H   0  0  0  0  0
    2.2027   -7.7228   -3.9139 H   0  0  0  0  0
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    3.9703   -6.0402   -4.0876 H   0  0  0  0  0
    5.8340   -8.1666   -2.9264 H   0  0  0  0  0
    6.3193   -6.5771   -3.4678 H   0  0  0  0  0
    7.3666    2.5181   -1.9315 H   0  0  0  0  0
   10.1467    3.2386   -0.7935 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL21507

>  <PubChem CID>
10323693

>  <Formula>
C32H41N3O2

>  <Molecular Weight>
499.699000

>  <IUPAC Name>
(E)-N-(1-acetyl-2,3-dihydroindol-6-yl)-N-[1-(2-cyclohexylethyl)piperidin-4-yl]-3-phenylprop-2-enamide

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(=O)N1CCC2=C1C=C(C=C2)N(C3CCN(CC3)CCC4CCCCC4)C(=O)C=CC5=CC=CC=C5

>  <Isomeric SMILES>
CC(=O)N1CCC2=C1C=C(C=C2)N(C3CCN(CC3)CCC4CCCCC4)C(=O)/C=C/C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C32H41N3O2/c1-25(36)34-23-17-28-13-14-30(24-31(28)34)35(32(37)15-12-26-8-4-2-5-9-26)29-18-21-33(22-19-29)20-16-27-10-6-3-7-11-27/h2,4-5,8-9,12-15,24,27,29H,3,6-7,10-11,16-23H2,1H3/b15-12+

>  <InChI Key>
BVZOBOJXGYYFOT-NTCAYCPXSA-N

