
 CHEMBL1082211

 57 61  0  0  0  0  0  0  0  0999 V2000
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    2.0612    0.7261   -2.6977 H   0  0  0  0  0
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  1 33  1  0  0  0
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  8  9  2  0  0  0
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 32 57  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1082211

>  <PubChem CID>
46880568

>  <Formula>
C27H25N3O2

>  <Molecular Weight>
423.516000

>  <IUPAC Name>
[(3S)-4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl]-(4-phenylphenyl)methanone

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1CN(CCN1C(=O)C2=CC3=C(C=C2)C=CN3)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5

>  <Isomeric SMILES>
C[C@H]1CN(CCN1C(=O)C2=CC3=C(C=C2)C=CN3)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C27H25N3O2/c1-19-18-29(26(31)23-10-7-21(8-11-23)20-5-3-2-4-6-20)15-16-30(19)27(32)24-12-9-22-13-14-28-25(22)17-24/h2-14,17,19,28H,15-16,18H2,1H3/t19-/m0/s1

>  <InChI Key>
GGUUYQBMWBFCFQ-IBGZPJMESA-N

