General Information of the Compound
| Compound ID |
CP0396876
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| Compound Name |
(1'R,5R)-3-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methoxypyridin-4-yl)phenyl]methoxy]spiro[6,7-dihydrocyclopenta[c]pyridine-5,2'-cyclopropane]-1'-carboxylic acid
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| Structure |
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| Formula |
C31H33FN2O4
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| Molecular Weight |
516.613
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| Canonical SMILES |
COc1cc(c(F)cn1)-c1ccc(COc2cc3c(CC[C@]33C[C@H]3C(O)=O)cn2)cc1[C@@H]1CCCC1(C)C
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| InChI |
InChI=1S/C31H33FN2O4/c1-30(2)9-4-5-23(30)21-11-18(6-7-20(21)22-12-27(37-3)34-16-26(22)32)17-38-28-13-24-19(15-33-28)8-10-31(24)14-25(31)29(35)36/h6-7,11-13,15-16,23,25H,4-5,8-10,14,17H2,1-3H3,(H,35,36)/t23-,25-,31-/m0/s1
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| InChIKey |
LANLVVCVNZPMJZ-OBFLODNTSA-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