General Information of the Compound
| Compound ID |
CP0888732
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| Compound Name |
3-(N-(3-(4-Carboxylphenylamino)-3-oxopropyl)sulfamoyl)benzamidinium trifluoroacetate
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| Structure |
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| Formula |
C19H19F3N4O7S
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| Molecular Weight |
504.443
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| Canonical SMILES |
N=C(N)c1cccc(S(=O)(=O)NCCC(=O)Nc2ccc(C(=O)O)cc2)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C17H18N4O5S.C2HF3O2/c18-16(19)12-2-1-3-14(10-12)27(25,26)20-9-8-15(22)21-13-6-4-11(5-7-13)17(23)24;3-2(4,5)1(6)7/h1-7,10,20H,8-9H2,(H3,18,19)(H,21,22)(H,23,24);(H,6,7)
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| InChIKey |
OFLBGZYKVKBXOL-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