General Information of the Compound
| Compound ID |
CP0396859
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| Compound Name |
(3R)-3-[2-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methoxypyridin-4-yl)phenyl]methoxy]pyridin-4-yl]pentanoic acid
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| Structure |
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| Formula |
C30H35FN2O4
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| Molecular Weight |
506.618
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| Canonical SMILES |
CC[C@H](CC(O)=O)c1ccnc(OCc2ccc(c(c2)[C@@H]2CCCC2(C)C)-c2cc(OC)ncc2F)c1
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| InChI |
InChI=1S/C30H35FN2O4/c1-5-20(15-29(34)35)21-10-12-32-28(14-21)37-18-19-8-9-22(24-16-27(36-4)33-17-26(24)31)23(13-19)25-7-6-11-30(25,2)3/h8-10,12-14,16-17,20,25H,5-7,11,15,18H2,1-4H3,(H,34,35)/t20-,25+/m1/s1
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| InChIKey |
WBBGKTVNXAOMAX-NLFFAJNJSA-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