General Information of the Compound
| Compound ID |
CP0569199
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| Compound Name |
(2S)-N-(4-methyl-2-nitrophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C21H20N4O3S
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| Molecular Weight |
408.483
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| Canonical SMILES |
Cc1ccc(NC(=O)N2CCC[C@H]2c2ncc(s2)-c2ccccc2)c(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C21H20N4O3S/c1-14-9-10-16(18(12-14)25(27)28)23-21(26)24-11-5-8-17(24)20-22-13-19(29-20)15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13,17H,5,8,11H2,1H3,(H,23,26)/t17-/m0/s1
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| InChIKey |
FGDPMXRJRHRZPX-KRWDZBQOSA-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