General Information of the Compound
| Compound ID |
CP0580013
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| Compound Name |
4-[2-(2-methylanilino)-3,4-dioxocyclobuten-1-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
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| Structure |
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| Formula |
C23H24N4O3
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| Molecular Weight |
404.47
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| Canonical SMILES |
Cc1ccc(NC(=O)N2CCN(CC2)c2c(Nc3ccccc3C)c(=O)c2=O)cc1
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| InChI |
InChI=1S/C23H24N4O3/c1-15-7-9-17(10-8-15)24-23(30)27-13-11-26(12-14-27)20-19(21(28)22(20)29)25-18-6-4-3-5-16(18)2/h3-10,25H,11-14H2,1-2H3,(H,24,30)
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| InChIKey |
VVTFKHOMNVENSD-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