
 CHEMBL1779406

 85 90  0  0  0  0  0  0  0  0999 V2000
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    2.4409    1.9106   -2.8849 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1779406

>  <PubChem CID>
54584478

>  <Formula>
C34H39ClN4O6S

>  <Molecular Weight>
667.218000

>  <IUPAC Name>
(2S)-1-[(3R)-5-chloro-1-(4-methoxyphenyl)sulfonyl-3-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoindol-3-yl]-N,N-dimethylpyrrolidine-2-carboxamide

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CN(C)C(=O)C1CCCN1C2(C3=C(C=CC(=C3)Cl)N(C2=O)S(=O)(=O)C4=CC=C(C=C4)OC)C5=C(C=C(C=C5)CN6CCCC6)OC

>  <Isomeric SMILES>
CN(C)C(=O)[C@@H]1CCCN1[C@]2(C3=C(C=CC(=C3)Cl)N(C2=O)S(=O)(=O)C4=CC=C(C=C4)OC)C5=C(C=C(C=C5)CN6CCCC6)OC

>  <InChI Std. ID>
InChI=1S/C34H39ClN4O6S/c1-36(2)32(40)30-8-7-19-38(30)34(27-15-9-23(20-31(27)45-4)22-37-17-5-6-18-37)28-21-24(35)10-16-29(28)39(33(34)41)46(42,43)26-13-11-25(44-3)12-14-26/h9-16,20-21,30H,5-8,17-19,22H2,1-4H3/t30-,34-/m0/s1

>  <InChI Key>
BJPPSTZIMCILME-NHZFLZHXSA-N

