General Information of the Compound
| Compound ID |
CP0396877
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| Compound Name |
(1'R,5R)-3-[[4-(5-fluoro-2-methoxypyridin-4-yl)-3-[(1R)-1-methoxy-2,2-dimethylpropyl]phenyl]methoxy]spiro[6,7-dihydrocyclopenta[c]pyridine-5,2'-cyclopropane]-1'-carboxylic acid
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| Structure |
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| Formula |
C30H33FN2O5
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| Molecular Weight |
520.601
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| Canonical SMILES |
CO[C@@H](c1cc(COc2cc3c(CC[C@]33C[C@H]3C(O)=O)cn2)ccc1-c1cc(OC)ncc1F)C(C)(C)C
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| InChI |
InChI=1S/C30H33FN2O5/c1-29(2,3)27(37-5)21-10-17(6-7-19(21)20-11-25(36-4)33-15-24(20)31)16-38-26-12-22-18(14-32-26)8-9-30(22)13-23(30)28(34)35/h6-7,10-12,14-15,23,27H,8-9,13,16H2,1-5H3,(H,34,35)/t23-,27-,30-/m0/s1
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| InChIKey |
MYILAFWHXVAILX-VZPHFUHGSA-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