General Information of the Compound
| Compound ID |
CP0770028
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| Compound Name |
3-(N-(2-Phenylamino)-2-oxoethyl)-N-sulfamoyl)benzamidinium trifluoroacetate
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| Structure |
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| Formula |
C17H17F3N4O5S
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| Molecular Weight |
446.407
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| Canonical SMILES |
N=C(N)c1cccc(S(=O)(=O)NCC(=O)Nc2ccccc2)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C15H16N4O3S.C2HF3O2/c16-15(17)11-5-4-8-13(9-11)23(21,22)18-10-14(20)19-12-6-2-1-3-7-12;3-2(4,5)1(6)7/h1-9,18H,10H2,(H3,16,17)(H,19,20);(H,6,7)
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| InChIKey |
OPHRNCALGOYYHS-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