
 CHEMBL432009

 76 82  0  0  0  0  0  0  0  0999 V2000
    5.7567    0.7683   -4.3122 C   0  0  0  0  0
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    6.2566    1.6781   -4.6597 H   0  0  0  0  0
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    1.0215   -2.6288   -1.4531 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL432009

>  <PubChem CID>
44335241

>  <Formula>
C36H34ClN3O2

>  <Molecular Weight>
576.137000

>  <IUPAC Name>


>  <XlogP>
7.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)N4CC5C6CCC(N5CC7=C4C=CC(=C7)Cl)CC6

>  <Isomeric SMILES>
CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)N4C[C@@H]5C6CCC(N5CC7=C4C=CC(=C7)Cl)CC6

>  <InChI Std. ID>
InChI=1S/C36H34ClN3O2/c1-23-6-8-24(9-7-23)31-4-2-3-5-32(31)35(41)38-29-15-10-26(11-16-29)36(42)40-22-34-25-12-17-30(18-13-25)39(34)21-27-20-28(37)14-19-33(27)40/h2-11,14-16,19-20,25,30,34H,12-13,17-18,21-22H2,1H3,(H,38,41)/t25?,30?,34-/m1/s1

>  <InChI Key>
AKOQGOCLYOOSEU-UOTLIPSBSA-N

