General Information of the Compound
| Compound ID |
CP0523802
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| Compound Name |
(1-{(R)-3-[2-(1-Hydroxy-1-methyl-ethyl)-phenyl]-1-[3-((E)-2-pyridin-2-yl-vinyl)-phenyl]-propylsulfanylmethyl}-cyclopropyl)-acetic acid
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| Structure |
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| Formula |
C31H35NO3S
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| Molecular Weight |
501.692
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| Canonical SMILES |
CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccccn2)c1
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| InChI |
InChI=1S/C31H35NO3S/c1-30(2,35)27-12-4-3-9-24(27)14-16-28(36-22-31(17-18-31)21-29(33)34)25-10-7-8-23(20-25)13-15-26-11-5-6-19-32-26/h3-13,15,19-20,28,35H,14,16-18,21-22H2,1-2H3,(H,33,34)/b15-13+/t28-/m1/s1
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| InChIKey |
MJDLJMHJJYEQFO-IDRNJTBQSA-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