
 CHEMBL1779415

 69 74  0  0  0  0  0  0  0  0999 V2000
    1.3126    0.0834   -2.8397 C   0  0  0  0  0
    2.1690    0.9779   -3.5403 O   0  0  0  0  0
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   12.8257    0.3775   -2.0596 C   0  0  0  0  0
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    6.6491    7.6062   -1.5192 H   0  0  0  0  0
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    8.7253    3.9749    1.2272 H   0  0  0  0  0
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    9.9217    2.9487    3.0273 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1779415

>  <PubChem CID>
54583496

>  <Formula>
C29H27ClN4O7S

>  <Molecular Weight>
611.066000

>  <IUPAC Name>
(3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxypyridin-3-yl)-3-[2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
COC1=CC(=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)Cl)C(C2=O)(C4=C(N=CC=C4)OC)N5CCCC5C6=NC=CO6)OC

>  <Isomeric SMILES>
COC1=CC(=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)Cl)[C@](C2=O)(C4=C(N=CC=C4)OC)N5CCCC5C6=NC=CO6)OC

>  <InChI Std. ID>
InChI=1S/C29H27ClN4O7S/c1-38-19-9-11-25(24(17-19)39-2)42(36,37)34-22-10-8-18(30)16-21(22)29(28(34)35,20-6-4-12-31-26(20)40-3)33-14-5-7-23(33)27-32-13-15-41-27/h4,6,8-13,15-17,23H,5,7,14H2,1-3H3/t23?,29-/m0/s1

>  <InChI Key>
ASOTVOFICYBESK-IZCXSWDTSA-N

