General Information of the Compound
| Compound ID |
CP0439728
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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-phenylpropyl]sulfanylmethyl]cyclopropyl]acetic acid
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| Structure |
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| Formula |
C30H27Cl2NO2S2
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| Molecular Weight |
568.591
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| Canonical SMILES |
OC(=O)CC1(CS[C@H](CCc2ccccc2)c2cccc(\C=C\c3ccc4sc(Cl)c(Cl)c4n3)c2)CC1
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| InChI |
InChI=1S/C30H27Cl2NO2S2/c31-27-28-25(37-29(27)32)14-12-23(33-28)11-9-21-7-4-8-22(17-21)24(13-10-20-5-2-1-3-6-20)36-19-30(15-16-30)18-26(34)35/h1-9,11-12,14,17,24H,10,13,15-16,18-19H2,(H,34,35)/b11-9+/t24-/m1/s1
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| InChIKey |
OSSGVJHRBLHMLQ-KMEWNKIWSA-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