General Information of the Compound
| Compound ID |
CP0954994
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| Compound Name |
2-(Aminomethyl)-6-((3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl)-4H-chromen-4-one hydrochloride
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| Structure |
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| Formula |
C15H16ClFN2O4
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| Molecular Weight |
342.754
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| Canonical SMILES |
Cl.NCc1cc(=O)c2cc(C(=O)N3C[C@@H](O)[C@H](F)C3)ccc2o1
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| InChI |
InChI=1S/C15H15FN2O4.ClH/c16-11-6-18(7-13(11)20)15(21)8-1-2-14-10(3-8)12(19)4-9(5-17)22-14;/h1-4,11,13,20H,5-7,17H2;1H/t11-,13-;/m1./s1
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| InChIKey |
IYWSOTKOLZURCA-LOCPCMAASA-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