General Information of the Compound
| Compound ID |
CP0553127
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| Compound Name |
(2S,3R)-3-cyclopropyl-3-[3-[[(1R)-4-(5,5-dimethylcyclopenten-1-yl)-5-(2-fluoro-5-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-2-methylpropanoic acid
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| Structure |
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| Formula |
C36H39FO4
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| Molecular Weight |
554.702
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| Canonical SMILES |
COc1ccc(F)c(c1)-c1ccc2[C@@H](CCc2c1C1=CCCC1(C)C)Oc1cccc(c1)[C@@H]([C@H](C)C(O)=O)C1CC1
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| InChI |
InChI=1S/C36H39FO4/c1-21(35(38)39)33(22-10-11-22)23-7-5-8-25(19-23)41-32-17-15-27-26(32)13-14-28(29-20-24(40-4)12-16-31(29)37)34(27)30-9-6-18-36(30,2)3/h5,7-9,12-14,16,19-22,32-33H,6,10-11,15,17-18H2,1-4H3,(H,38,39)/t21-,32+,33-/m0/s1
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| InChIKey |
CWLDPSZRWBVMPK-PXCWQZPISA-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