General Information of the Compound
| Compound ID |
CP0528234
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| Compound Name |
N-(4-tert-butylphenyl)-4-[2-(2-methylanilino)-3,4-dioxocyclobuten-1-yl]piperazine-1-carboxamide
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| Structure |
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| Formula |
C26H30N4O3
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| Molecular Weight |
446.551
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| Canonical SMILES |
Cc1ccccc1Nc1c(N2CCN(CC2)C(=O)Nc2ccc(cc2)C(C)(C)C)c(=O)c1=O
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| InChI |
InChI=1S/C26H30N4O3/c1-17-7-5-6-8-20(17)28-21-22(24(32)23(21)31)29-13-15-30(16-14-29)25(33)27-19-11-9-18(10-12-19)26(2,3)4/h5-12,28H,13-16H2,1-4H3,(H,27,33)
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| InChIKey |
ICZWTHDURBBKJK-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