General Information of the Compound
| Compound ID |
CP0176849
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| Compound Name |
[4-[N-[(4-hydroxyphenyl)methyl]-4-nitroanilino]-1-methylpyrrol-2-yl]-pyrrolidin-1-ylmethanone
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| Structure |
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| Formula |
C23H24N4O4
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| Molecular Weight |
420.469
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| Canonical SMILES |
Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccc(O)cc1)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C23H24N4O4/c1-24-16-20(14-22(24)23(29)25-12-2-3-13-25)26(15-17-4-10-21(28)11-5-17)18-6-8-19(9-7-18)27(30)31/h4-11,14,16,28H,2-3,12-13,15H2,1H3
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| InChIKey |
JCCDHDXGTMQIQD-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