General Information of the Compound
| Compound ID |
CP0396274
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| Compound Name |
(3S)-3-cyclopropyl-3-[2-[4-(2-fluoro-5-methoxyphenyl)-3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid
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| Structure |
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| Formula |
C29H26F4O5
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| Molecular Weight |
530.514
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| Canonical SMILES |
COc1ccc(F)c(c1)-c1ccc(cc1OC(F)(F)F)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1
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| InChI |
InChI=1S/C29H26F4O5/c1-36-20-8-10-24(30)23(14-20)21-9-6-19(13-27(21)38-29(31,32)33)25-11-7-17-4-5-18(12-26(17)37-25)22(15-28(34)35)16-2-3-16/h4-6,8-10,12-14,16,22,25H,2-3,7,11,15H2,1H3,(H,34,35)/t22-,25?/m0/s1
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| InChIKey |
FYIURXKHQHFZAH-XADRRFQNSA-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