
 CHEMBL430841

 73 79  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL430841

>  <PubChem CID>
44335329

>  <Formula>
C35H32ClN3O2

>  <Molecular Weight>
562.110000

>  <IUPAC Name>


>  <XlogP>
7.0

>  <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(C6)N5CC7=C4C=CC(=C7)Cl

>  <Isomeric SMILES>
CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)N4C[C@@H]5C6CCC(C6)N5CC7=C4C=CC(=C7)Cl

>  <InChI Std. ID>
InChI=1S/C35H32ClN3O2/c1-22-6-8-23(9-7-22)30-4-2-3-5-31(30)34(40)37-28-14-10-24(11-15-28)35(41)39-21-33-25-12-16-29(19-25)38(33)20-26-18-27(36)13-17-32(26)39/h2-11,13-15,17-18,25,29,33H,12,16,19-21H2,1H3,(H,37,40)/t25?,29?,33-/m1/s1

>  <InChI Key>
AGTYAPDOOSGWIN-ZTFYXODMSA-N

