General Information of the Compound
| Compound ID |
CP0556580
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| Compound Name |
(3S)-N-[(3-chloro-2,4-difluorophenyl)methyl]-3-hydroxy-2-oxo-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C21H18ClF2N3O4
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| Molecular Weight |
449.841
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| Canonical SMILES |
O[C@@]1(CCN(C1=O)c1ccc2NC(=O)CCc2c1)C(=O)NCc1ccc(F)c(Cl)c1F
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| InChI |
InChI=1S/C21H18ClF2N3O4/c22-17-14(23)4-1-12(18(17)24)10-25-19(29)21(31)7-8-27(20(21)30)13-3-5-15-11(9-13)2-6-16(28)26-15/h1,3-5,9,31H,2,6-8,10H2,(H,25,29)(H,26,28)/t21-/m0/s1
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| InChIKey |
XUXUWHAAFGOLQN-NRFANRHFSA-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