General Information of the Compound
| Compound ID |
CP0113623
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| Compound Name |
2,4,6-trimethyl-N-[(2S)-1-[(8-methylquinolin-5-yl)amino]propan-2-yl]benzenesulfonamide
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| Structure |
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| Formula |
C22H27N3O2S
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| Molecular Weight |
397.544
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| Canonical SMILES |
C[C@@H](CNc1ccc(C)c2ncccc12)NS(=O)(=O)c1c(C)cc(C)cc1C
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| InChI |
InChI=1S/C22H27N3O2S/c1-14-11-16(3)22(17(4)12-14)28(26,27)25-18(5)13-24-20-9-8-15(2)21-19(20)7-6-10-23-21/h6-12,18,24-25H,13H2,1-5H3/t18-/m0/s1
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| InChIKey |
ZVJNKNVFIGJJKR-SFHVURJKSA-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