General Information of the Compound
| Compound ID |
CP0550343
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| Compound Name |
(2S)-N-(2-nitrophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C20H18N4O3S
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| Molecular Weight |
394.456
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| Canonical SMILES |
[O-][N+](=O)c1ccccc1NC(=O)N1CCC[C@H]1c1ncc(s1)-c1ccccc1
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| InChI |
InChI=1S/C20H18N4O3S/c25-20(22-15-9-4-5-10-16(15)24(26)27)23-12-6-11-17(23)19-21-13-18(28-19)14-7-2-1-3-8-14/h1-5,7-10,13,17H,6,11-12H2,(H,22,25)/t17-/m0/s1
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| InChIKey |
IXFSXRIIHRAKFQ-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