General Information of the Compound
| Compound ID |
CP0217180
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| Compound Name |
2,2-Di-m-tolyl-cyclopropanecarboxylic acid (2-hydroxy-4-nitro-phenyl)-amide
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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 |
Cc1cccc(c1)C1(CC1C(=O)Nc1ccc(cc1O)[N+]([O-])=O)c1cccc(C)c1
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| InChI |
InChI=1S/C24H22N2O4/c1-15-5-3-7-17(11-15)24(18-8-4-6-16(2)12-18)14-20(24)23(28)25-21-10-9-19(26(29)30)13-22(21)27/h3-13,20,27H,14H2,1-2H3,(H,25,28)
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| InChIKey |
JWSPOYWIADRWOW-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8