
 CHEMBL314340

 74 78  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL314340

>  <PubChem CID>
15290705

>  <Formula>
C33H34ClNO3S2

>  <Molecular Weight>
592.209000

>  <IUPAC Name>
2-[1-[[(1R)-1-[3-[(E)-2-(2-chlorothieno[3,2-b]pyridin-5-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid

>  <XlogP>
7.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=C3)SC(=C4)Cl)SCC5(CC5)CC(=O)O)O

>  <Isomeric SMILES>
CC(C)(C1=CC=CC=C1CC[C@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=C3)SC(=C4)Cl)SCC5(CC5)CC(=O)O)O

>  <InChI Std. ID>
InChI=1S/C33H34ClNO3S2/c1-32(2,38)26-9-4-3-7-23(26)11-14-28(39-21-33(16-17-33)20-31(36)37)24-8-5-6-22(18-24)10-12-25-13-15-29-27(35-25)19-30(34)40-29/h3-10,12-13,15,18-19,28,38H,11,14,16-17,20-21H2,1-2H3,(H,36,37)/b12-10+/t28-/m1/s1

>  <InChI Key>
IGUFQFBMEPZVOT-LKXQCNMVSA-N

