General Information of the Compound
| Compound ID |
CP0454579
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| Compound Name |
(2S,3R)-3-(2,5-difluorophenyl)-9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-amine
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| Structure |
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| Formula |
C20H17F2NO2
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| Molecular Weight |
341.357
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| Canonical SMILES |
COc1ccc2ccc3O[C@@H]([C@@H](N)Cc3c2c1)c1cc(F)ccc1F
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| InChI |
InChI=1S/C20H17F2NO2/c1-24-13-5-2-11-3-7-19-15(14(11)9-13)10-18(23)20(25-19)16-8-12(21)4-6-17(16)22/h2-9,18,20H,10,23H2,1H3/t18-,20+/m0/s1
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| InChIKey |
KHTOSCLYTIUOSS-AZUAARDMSA-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