General Information of the Compound
| Compound ID |
CP0378100
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| Compound Name |
N-(1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinolin-6-yl)-1-phenylmethanesulfonamide
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| Structure |
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| Formula |
C27H30N2O3S
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| Molecular Weight |
462.615
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| Canonical SMILES |
CC(=O)N1c2ccc(NS(=O)(=O)Cc3ccccc3)cc2C(C)(CC1(C)C)c1ccccc1
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| InChI |
InChI=1S/C27H30N2O3S/c1-20(30)29-25-16-15-23(28-33(31,32)18-21-11-7-5-8-12-21)17-24(25)27(4,19-26(29,2)3)22-13-9-6-10-14-22/h5-17,28H,18-19H2,1-4H3
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| InChIKey |
IATHBRQJVABHAM-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