General Information of the Compound
| Compound ID |
CP0389990
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| Compound Name |
(3S)-3-cyclopropyl-3-[2-[4-(6-methoxypyridin-2-yl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid
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| Structure |
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| Formula |
C27H27NO4
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| Molecular Weight |
429.516
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| Canonical SMILES |
COc1cccc(n1)-c1ccc(cc1)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1
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| InChI |
InChI=1S/C27H27NO4/c1-31-26-4-2-3-23(28-26)18-7-9-19(10-8-18)24-14-13-20-11-12-21(15-25(20)32-24)22(16-27(29)30)17-5-6-17/h2-4,7-12,15,17,22,24H,5-6,13-14,16H2,1H3,(H,29,30)/t22-,24?/m0/s1
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| InChIKey |
JXQMUGCMQSPGCS-OWJIYDKWSA-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