General Information of the Compound
| Compound ID |
CP0457194
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| Compound Name |
N-[2-[[(3R)-1-[(4-nitrophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C21H21F3N4O4
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| Molecular Weight |
450.417
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| Canonical SMILES |
[O-][N+](=O)c1ccc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C21H21F3N4O4/c22-21(23,24)16-3-1-2-15(10-16)20(30)25-11-19(29)26-17-8-9-27(13-17)12-14-4-6-18(7-5-14)28(31)32/h1-7,10,17H,8-9,11-13H2,(H,25,30)(H,26,29)/t17-/m1/s1
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| InChIKey |
RVJHUKDRTIAIJW-QGZVFWFLSA-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