General Information of the Compound
| Compound ID |
CP0397552
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| Compound Name |
N-(diaminomethylidene)-4-[1-[4-(methylsulfamoyl)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C22H24F3N5O4S
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| Molecular Weight |
511.526
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| Canonical SMILES |
CNS(=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/C22H24F3N5O4S/c1-28-35(33,34)16-5-2-14(3-6-16)20(32)30-10-8-13(9-11-30)17-7-4-15(19(31)29-21(26)27)12-18(17)22(23,24)25/h2-7,12-13,28H,8-11H2,1H3,(H4,26,27,29,31)
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| InChIKey |
HYYHVBJKRYOIQX-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