General Information of the Compound
| Compound ID |
CP0522756
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| Compound Name |
(2R,3S)-2-amino-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromene-8-carbonitrile
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| Structure |
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| Formula |
C20H13F3N2O
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| Molecular Weight |
354.331
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| Canonical SMILES |
N[C@@H]1Cc2c(O[C@H]1c1cc(F)c(F)cc1F)ccc1cc(ccc21)C#N
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| InChI |
InChI=1S/C20H13F3N2O/c21-15-8-17(23)16(22)6-14(15)20-18(25)7-13-12-3-1-10(9-24)5-11(12)2-4-19(13)26-20/h1-6,8,18,20H,7,25H2/t18-,20+/m1/s1
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| InChIKey |
IHMRKDWNSLQDOV-QUCCMNQESA-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