General Information of the Compound
| Compound ID |
CP0579430
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| Compound Name |
(3S,4R)-3-[[5-(4-chlorophenyl)-1-methylpyrazol-3-yl]amino]-4-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one
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| Structure |
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| Formula |
C21H19ClF2N4O2
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| Molecular Weight |
432.858
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| Canonical SMILES |
COc1cc(F)c([C@@H]2CNC(=O)[C@H]2Nc2cc(-c3ccc(Cl)cc3)n(C)n2)c(F)c1
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| InChI |
InChI=1S/C21H19ClF2N4O2/c1-28-17(11-3-5-12(22)6-4-11)9-18(27-28)26-20-14(10-25-21(20)29)19-15(23)7-13(30-2)8-16(19)24/h3-9,14,20H,10H2,1-2H3,(H,25,29)(H,26,27)/t14-,20-/m0/s1
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| InChIKey |
YYDXVEMRMGWTGZ-XOBRGWDASA-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