General Information of the Compound
| Compound ID |
CP0554570
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| Compound Name |
1-(1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinolin-6-yl)-3-phenylurea
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| Structure |
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| Formula |
C27H29N3O2
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| Molecular Weight |
427.548
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| Canonical SMILES |
CC(=O)N1c2ccc(NC(=O)Nc3ccccc3)cc2C(C)(CC1(C)C)c1ccccc1
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| InChI |
InChI=1S/C27H29N3O2/c1-19(31)30-24-16-15-22(29-25(32)28-21-13-9-6-10-14-21)17-23(24)27(4,18-26(30,2)3)20-11-7-5-8-12-20/h5-17H,18H2,1-4H3,(H2,28,29,32)
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| InChIKey |
NQDJRZFOTQSMOA-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