General Information of the Compound
| Compound ID |
CP0507641
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| Compound Name |
(1-{(R)-1-{3-[(E)-2-(5-Ethyl-6-methyl-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 |
C34H41NO3S
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| Molecular Weight |
543.773
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| Canonical SMILES |
CCc1ccc(\C=C\c2cccc(c2)[C@@H](CCc2ccccc2C(C)(C)O)SCC2(CC(O)=O)CC2)nc1C
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| InChI |
InChI=1S/C34H41NO3S/c1-5-26-14-17-29(35-24(26)2)16-13-25-9-8-11-28(21-25)31(39-23-34(19-20-34)22-32(36)37)18-15-27-10-6-7-12-30(27)33(3,4)38/h6-14,16-17,21,31,38H,5,15,18-20,22-23H2,1-4H3,(H,36,37)/b16-13+/t31-/m1/s1
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| InChIKey |
PJVNGFRHENPVNP-ILZHQVLHSA-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