General Information of the Compound
| Compound ID |
CP0526674
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| Compound Name |
(1-{(R)-1-[3-(2,3-Dichloro-thieno[3,2-b]pyridin-5-ylmethoxy)-phenyl]-3-[2-(1-hydroxy-1-methyl-ethyl)-phenyl]-propylsulfanylmethyl}-cyclopropyl)-acetic acid
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| Structure |
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| Formula |
C32H33Cl2NO4S2
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| Molecular Weight |
630.659
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| Canonical SMILES |
CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(OCc2ccc3sc(Cl)c(Cl)c3n2)c1
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| InChI |
InChI=1S/C32H33Cl2NO4S2/c1-31(2,38)24-9-4-3-6-20(24)10-12-25(40-19-32(14-15-32)17-27(36)37)21-7-5-8-23(16-21)39-18-22-11-13-26-29(35-22)28(33)30(34)41-26/h3-9,11,13,16,25,38H,10,12,14-15,17-19H2,1-2H3,(H,36,37)/t25-/m1/s1
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| InChIKey |
KBBBPRAKKDDMRH-RUZDIDTESA-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