General Information of the Compound
| Compound ID |
CP0169830
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| Compound Name |
[4-(N-benzyl-4-nitroanilino)-1-methylpyrrol-2-yl]-(2,3-dihydroindol-1-yl)methanone
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| Structure |
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| Formula |
C27H24N4O3
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| Molecular Weight |
452.514
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| Canonical SMILES |
Cn1cc(cc1C(=O)N1CCc2ccccc12)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C27H24N4O3/c1-28-19-24(17-26(28)27(32)29-16-15-21-9-5-6-10-25(21)29)30(18-20-7-3-2-4-8-20)22-11-13-23(14-12-22)31(33)34/h2-14,17,19H,15-16,18H2,1H3
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| InChIKey |
RRIMNMVKXWBRBE-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