General Information of the Compound
| Compound ID |
CP0396643
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| Compound Name |
sodium;(2S,3R)-3-cyclopropyl-3-[2-[2-fluoro-4-(2-methoxypyridin-4-yl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoate
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| Structure |
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| Formula |
C28H27FNNaO4
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| Molecular Weight |
483.515
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| Canonical SMILES |
[Na+].COc1cc(ccn1)-c1ccc(C2CCc3ccc(cc3O2)[C@@H]([C@H](C)C([O-])=O)C2CC2)c(F)c1
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| InChI |
InChI=1S/C28H28FNO4.Na/c1-16(28(31)32)27(18-4-5-18)21-6-3-17-8-10-24(34-25(17)14-21)22-9-7-19(13-23(22)29)20-11-12-30-26(15-20)33-2;/h3,6-7,9,11-16,18,24,27H,4-5,8,10H2,1-2H3,(H,31,32);/q;+1/p-1/t16-,24?,27-;/m0./s1
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| InChIKey |
RYYFJYUUBLAVKS-MPPDBISVSA-M
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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