General Information of the Compound
| Compound ID |
CP0551491
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| Compound Name |
(2S,3R)-2-amino-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromene-8-carboxylic acid
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| Structure |
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| Formula |
C20H14F3NO3
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| Molecular Weight |
373.33
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| Canonical SMILES |
N[C@H]1Cc2c(O[C@@H]1c1cc(F)c(F)cc1F)ccc1cc(ccc21)C(O)=O
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| InChI |
InChI=1S/C20H14F3NO3/c21-14-8-16(23)15(22)6-13(14)19-17(24)7-12-11-3-1-10(20(25)26)5-9(11)2-4-18(12)27-19/h1-6,8,17,19H,7,24H2,(H,25,26)/t17-,19+/m0/s1
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| InChIKey |
KJKNMZOEJYGGEN-PKOBYXMFSA-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