General Information of the Compound
| Compound ID |
CP0534643
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| Compound Name |
(1-{(R)-1-{3-[(E)-2-(6-Ethyl-5-trifluoromethyl-pyridin-2-yl)-vinyl]-phenyl}-3-[2-(1-hydroxy-1-methyl-ethyl)-phenyl]-propylsulfanylmethyl}-cyclopropyl)-acetic acid
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| Structure |
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| Formula |
C34H38F3NO3S
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| Molecular Weight |
597.743
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| Canonical SMILES |
CCc1nc(\C=C\c2cccc(c2)[C@@H](CCc2ccccc2C(C)(C)O)SCC2(CC(O)=O)CC2)ccc1C(F)(F)F
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| InChI |
InChI=1S/C34H38F3NO3S/c1-4-29-28(34(35,36)37)16-15-26(38-29)14-12-23-8-7-10-25(20-23)30(42-22-33(18-19-33)21-31(39)40)17-13-24-9-5-6-11-27(24)32(2,3)41/h5-12,14-16,20,30,41H,4,13,17-19,21-22H2,1-3H3,(H,39,40)/b14-12+/t30-/m1/s1
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| InChIKey |
ITUHVJQASQRAST-NBIVFMIFSA-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