General Information of the Compound
| Compound ID |
CP0049956
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| Compound Name |
2,2-bis(4-methylphenyl)-N-(4-nitro-2-oxidanyl-phenyl)cyclopropane-1-carboxamide
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| Structure |
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| Formula |
C24H22N2O4
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| Molecular Weight |
402.45
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| Canonical SMILES |
Cc1ccc(cc1)C1(CC1C(=O)Nc1ccc(cc1O)[N+]([O-])=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C24H22N2O4/c1-15-3-7-17(8-4-15)24(18-9-5-16(2)6-10-18)14-20(24)23(28)25-21-12-11-19(26(29)30)13-22(21)27/h3-13,20,27H,14H2,1-2H3,(H,25,28)
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| InChIKey |
PSPYSXQQDKBXKX-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3