General Information of the Compound
| Compound ID |
CP0498857
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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-[4-(trifluoromethyl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
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| Structure |
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| Formula |
C31H26Cl2F3NO2S2
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| Molecular Weight |
636.588
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| Canonical SMILES |
OC(=O)CC1(CS[C@H](CCc2ccc(cc2)C(F)(F)F)c2cccc(\C=C\c3ccc4sc(Cl)c(Cl)c4n3)c2)CC1
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| InChI |
InChI=1S/C31H26Cl2F3NO2S2/c32-27-28-25(41-29(27)33)13-11-23(37-28)10-6-20-2-1-3-21(16-20)24(40-18-30(14-15-30)17-26(38)39)12-7-19-4-8-22(9-5-19)31(34,35)36/h1-6,8-11,13,16,24H,7,12,14-15,17-18H2,(H,38,39)/b10-6+/t24-/m1/s1
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| InChIKey |
FOERRCYLHSJHPT-JHEAYKPVSA-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