General Information of the Compound
| Compound ID |
CP0511191
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| Compound Name |
(1-{(R)-1-{3-[2-(2,3-Dichloro-thieno[3,2-b]pyridin-5-yl)-cyclopropyl]-phenyl}-3-[2-(1-hydroxy-1-methyl-ethyl)-phenyl]-propylsulfanylmethyl}-cyclopropyl)-acetic acid
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| Structure |
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| Formula |
C34H35Cl2NO3S2
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| Molecular Weight |
640.698
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| Canonical SMILES |
CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(c1)C1CC1c1ccc2sc(Cl)c(Cl)c2n1
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| InChI |
InChI=1S/C34H35Cl2NO3S2/c1-33(2,40)25-9-4-3-6-20(25)10-12-27(41-19-34(14-15-34)18-29(38)39)22-8-5-7-21(16-22)23-17-24(23)26-11-13-28-31(37-26)30(35)32(36)42-28/h3-9,11,13,16,23-24,27,40H,10,12,14-15,17-19H2,1-2H3,(H,38,39)/t23?,24?,27-/m1/s1
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| InChIKey |
UQJBBYJBUQUDNA-PUUKEUDRSA-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