General Information of the Compound
| Compound ID |
CP0549994
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| Compound Name |
N-(3,4-dimethoxyphenyl)-4-[2-(2-methylanilino)-3,4-dioxocyclobuten-1-yl]-2-phenylpiperazine-1-carboxamide
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| Structure |
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| Formula |
C30H30N4O5
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| Molecular Weight |
526.593
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| Canonical SMILES |
COc1ccc(NC(=O)N2CCN(CC2c2ccccc2)c2c(Nc3ccccc3C)c(=O)c2=O)cc1OC
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| InChI |
InChI=1S/C30H30N4O5/c1-19-9-7-8-12-22(19)32-26-27(29(36)28(26)35)33-15-16-34(23(18-33)20-10-5-4-6-11-20)30(37)31-21-13-14-24(38-2)25(17-21)39-3/h4-14,17,23,32H,15-16,18H2,1-3H3,(H,31,37)
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| InChIKey |
RHMFTHKEJBIEAH-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