General Information of the Compound
| Compound ID |
CP0547753
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| Compound Name |
N-(diaminomethylidene)-4-[1-[4-(dimethylsulfamoyl)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C23H26F3N5O4S
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| Molecular Weight |
525.553
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| Canonical SMILES |
CN(C)S(=O)(=O)c1ccc(cc1)C(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N
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| InChI |
InChI=1S/C23H26F3N5O4S/c1-30(2)36(34,35)17-6-3-15(4-7-17)21(33)31-11-9-14(10-12-31)18-8-5-16(20(32)29-22(27)28)13-19(18)23(24,25)26/h3-8,13-14H,9-12H2,1-2H3,(H4,27,28,29,32)
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| InChIKey |
SZRLIPRMVVAPHY-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