General Information of the Compound
| Compound ID |
CP0528231
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| Compound Name |
N-(4-chlorophenyl)-4-[2-(2-methylanilino)-3,4-dioxocyclobuten-1-yl]-2-phenylpiperazine-1-carboxamide
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| Structure |
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| Formula |
C28H25ClN4O3
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| Molecular Weight |
500.986
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| Canonical SMILES |
Cc1ccccc1Nc1c(N2CCN(C(C2)c2ccccc2)C(=O)Nc2ccc(Cl)cc2)c(=O)c1=O
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| InChI |
InChI=1S/C28H25ClN4O3/c1-18-7-5-6-10-22(18)31-24-25(27(35)26(24)34)32-15-16-33(23(17-32)19-8-3-2-4-9-19)28(36)30-21-13-11-20(29)12-14-21/h2-14,23,31H,15-17H2,1H3,(H,30,36)
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| InChIKey |
FGLOFMPATPGING-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