General Information of the Compound
| Compound ID |
CP0487894
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| Compound Name |
(R)-6-(3-(1-((1-(carboxymethyl)cyclopropyl)methylthio)-3-(2-(2-hydroxypropan-2-yl)phenyl)propyl)styryl)nicotinic acid
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| Structure |
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| Formula |
C32H35NO5S
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| Molecular Weight |
545.701
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| Canonical SMILES |
CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc(cn2)C(O)=O)c1
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| InChI |
InChI=1S/C32H35NO5S/c1-31(2,38)27-9-4-3-7-23(27)12-15-28(39-21-32(16-17-32)19-29(34)35)24-8-5-6-22(18-24)10-13-26-14-11-25(20-33-26)30(36)37/h3-11,13-14,18,20,28,38H,12,15-17,19,21H2,1-2H3,(H,34,35)(H,36,37)/b13-10+/t28-/m1/s1
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| InChIKey |
JXVXKIYLTSMUSV-OXIVNLASSA-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