General Information of the Compound
| Compound ID |
CP0577911
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| Compound Name |
methyl 4-[[4-[2-(2-methylanilino)-3,4-dioxocyclobuten-1-yl]piperazine-1-carbonyl]amino]benzoate
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| Structure |
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| Formula |
C24H24N4O5
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| Molecular Weight |
448.479
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| Canonical SMILES |
COC(=O)c1ccc(NC(=O)N2CCN(CC2)c2c(Nc3ccccc3C)c(=O)c2=O)cc1
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| InChI |
InChI=1S/C24H24N4O5/c1-15-5-3-4-6-18(15)26-19-20(22(30)21(19)29)27-11-13-28(14-12-27)24(32)25-17-9-7-16(8-10-17)23(31)33-2/h3-10,26H,11-14H2,1-2H3,(H,25,32)
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| InChIKey |
RRNUPSBLFOTXCB-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