General Information of the Compound
| Compound ID |
CP0372660
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| Compound Name |
2-[1-[[(1R)-1-[3-[(E)-2-(2,3-dichlorothieno[3,2-b]pyridin-5-yl)ethenyl]phenyl]-3-[2-(hydroxymethyl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
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| Structure |
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| Formula |
C31H29Cl2NO3S2
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| Molecular Weight |
598.617
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| Canonical SMILES |
OCc1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3sc(Cl)c(Cl)c3n2)c1
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| InChI |
InChI=1S/C31H29Cl2NO3S2/c32-28-29-26(39-30(28)33)13-11-24(34-29)10-8-20-4-3-7-22(16-20)25(38-19-31(14-15-31)17-27(36)37)12-9-21-5-1-2-6-23(21)18-35/h1-8,10-11,13,16,25,35H,9,12,14-15,17-19H2,(H,36,37)/b10-8+/t25-/m1/s1
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| InChIKey |
QZECKERBZPCVOV-GVODCENMSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound