General Information of the Compound
| Compound ID |
CP0519869
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| Compound Name |
N-[4-[(4-propan-2-yl-1,4-diazepan-1-yl)sulfonyl]phenyl]-4-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C22H26F3N3O3S
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| Molecular Weight |
469.529
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| Canonical SMILES |
CC(C)N1CCCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C22H26F3N3O3S/c1-16(2)27-12-3-13-28(15-14-27)32(30,31)20-10-8-19(9-11-20)26-21(29)17-4-6-18(7-5-17)22(23,24)25/h4-11,16H,3,12-15H2,1-2H3,(H,26,29)
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| InChIKey |
JSYXSYSDWUBYQV-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