General Information of the Compound
| Compound ID |
CP0381242
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| Compound Name |
(1'R,4R)-6-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-5-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
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| Structure |
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| Formula |
C34H36F2O4
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| Molecular Weight |
546.654
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| Canonical SMILES |
COc1ccc(F)c(c1)-c1ccc(COc2ccc3CCC[C@]4(C[C@H]4C(O)=O)c3c2F)cc1[C@@H]1CCCC1(C)C
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| InChI |
InChI=1S/C34H36F2O4/c1-33(2)14-5-7-26(33)24-16-20(8-11-23(24)25-17-22(39-3)10-12-28(25)35)19-40-29-13-9-21-6-4-15-34(30(21)31(29)36)18-27(34)32(37)38/h8-13,16-17,26-27H,4-7,14-15,18-19H2,1-3H3,(H,37,38)/t26-,27-,34+/m0/s1
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| InChIKey |
XUHVNASBWIGDAU-IYKVEEHISA-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