General Information of the Compound
| Compound ID |
CP0176851
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| Compound Name |
[4-[N-benzyl-4-nitro-3-(trifluoromethyl)anilino]-1-methylpyrrol-2-yl]-pyrrolidin-1-ylmethanone
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| Structure |
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| Formula |
C24H23F3N4O3
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| Molecular Weight |
472.467
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| Canonical SMILES |
Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccccc1)c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
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| InChI |
InChI=1S/C24H23F3N4O3/c1-28-16-19(14-22(28)23(32)29-11-5-6-12-29)30(15-17-7-3-2-4-8-17)18-9-10-21(31(33)34)20(13-18)24(25,26)27/h2-4,7-10,13-14,16H,5-6,11-12,15H2,1H3
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| InChIKey |
VPACZZZMQJDAOL-UHFFFAOYSA-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