General Information of the Compound
| Compound ID |
CP0332399
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| Compound Name |
[4-[N-[[4-(hydroxymethyl)phenyl]methyl]-4-nitroanilino]-1-methylpyrrol-2-yl]-pyrrolidin-1-ylmethanone
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| Structure |
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| Formula |
C24H26N4O4
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| Molecular Weight |
434.496
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| Canonical SMILES |
Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccc(CO)cc1)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C24H26N4O4/c1-25-16-22(14-23(25)24(30)26-12-2-3-13-26)27(15-18-4-6-19(17-29)7-5-18)20-8-10-21(11-9-20)28(31)32/h4-11,14,16,29H,2-3,12-13,15,17H2,1H3
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| InChIKey |
YIOMJUPBPLUQTK-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