General Information of the Compound
Compound ID |
CP0492859
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Compound Name |
(3S)-3-cyclopropyl-3-[2-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methoxypyridin-4-yl)phenyl]methoxy]pyridin-4-yl]propanoic acid
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Structure |
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Formula |
C31H35FN2O4
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Molecular Weight |
518.629
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Canonical SMILES |
COc1cc(c(F)cn1)-c1ccc(COc2cc(ccn2)[C@@H](CC(O)=O)C2CC2)cc1[C@@H]1CCCC1(C)C
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InChI |
InChI=1S/C31H35FN2O4/c1-31(2)11-4-5-26(31)24-13-19(6-9-22(24)25-15-28(37-3)34-17-27(25)32)18-38-29-14-21(10-12-33-29)23(16-30(35)36)20-7-8-20/h6,9-10,12-15,17,20,23,26H,4-5,7-8,11,16,18H2,1-3H3,(H,35,36)/t23-,26-/m0/s1
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InChIKey |
QQCZDUGRRKGNPC-OZXSUGGESA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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