General Information of the Compound
| Compound ID |
CP0057196
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| Compound Name |
(1'R,4R)-6-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methoxypyridin-4-yl)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 |
C33H35F2NO4
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| Molecular Weight |
547.642
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| Canonical SMILES |
COc1cc(c(F)cn1)-c1ccc(COc2ccc3CCC[C@]4(C[C@H]4C(O)=O)c3c2F)cc1[C@@H]1CCCC1(C)C
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| InChI |
InChI=1S/C33H35F2NO4/c1-32(2)12-5-7-24(32)22-14-19(8-10-21(22)23-15-28(39-3)36-17-26(23)34)18-40-27-11-9-20-6-4-13-33(29(20)30(27)35)16-25(33)31(37)38/h8-11,14-15,17,24-25H,4-7,12-13,16,18H2,1-3H3,(H,37,38)/t24-,25-,33+/m0/s1
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| InChIKey |
WUMCAEVLFYSGKO-UTKFAANNSA-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