General Information of the Compound
| Compound ID |
CP0817954
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| Compound Name |
3-(N-(2-(4-Amidiniobenzylamino)-2-oxoethyl)sulfamoyl)benzamidinium bis(trifluoroacetate)
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| Structure |
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| Formula |
C21H22F6N6O7S
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| Molecular Weight |
616.497
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| Canonical SMILES |
N=C(N)c1ccc(CNC(=O)CNS(=O)(=O)c2cccc(C(=N)N)c2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C17H20N6O3S.2C2HF3O2/c18-16(19)12-6-4-11(5-7-12)9-22-15(24)10-23-27(25,26)14-3-1-2-13(8-14)17(20)21;2*3-2(4,5)1(6)7/h1-8,23H,9-10H2,(H3,18,19)(H3,20,21)(H,22,24);2*(H,6,7)
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| InChIKey |
MZGCNGKPEBIHIN-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