General Information of the Compound
| Compound ID |
CP0528245
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| Compound Name |
N-(4-tert-butylphenyl)-4-[3,4-dioxo-2-(quinolin-5-ylamino)cyclobuten-1-yl]piperazine-1-carboxamide
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| Structure |
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| Formula |
C28H29N5O3
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| Molecular Weight |
483.572
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| Canonical SMILES |
CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2c(Nc3cccc4ncccc34)c(=O)c2=O)cc1
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| InChI |
InChI=1S/C28H29N5O3/c1-28(2,3)18-9-11-19(12-10-18)30-27(36)33-16-14-32(15-17-33)24-23(25(34)26(24)35)31-22-8-4-7-21-20(22)6-5-13-29-21/h4-13,31H,14-17H2,1-3H3,(H,30,36)
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| InChIKey |
FLOBBHKCQATWQN-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