General Information of the Compound
| Compound ID |
CP0128114
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| Compound Name |
[4-(N-benzyl-4-nitroanilino)-1-methylpyrrol-2-yl]-piperidin-1-ylmethanone
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| Structure |
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| Formula |
C24H26N4O3
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| Molecular Weight |
418.497
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| Canonical SMILES |
Cn1cc(cc1C(=O)N1CCCCC1)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C24H26N4O3/c1-25-18-22(16-23(25)24(29)26-14-6-3-7-15-26)27(17-19-8-4-2-5-9-19)20-10-12-21(13-11-20)28(30)31/h2,4-5,8-13,16,18H,3,6-7,14-15,17H2,1H3
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| InChIKey |
FIIHLSUUPYBBJL-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