General Information of the Compound
| Compound ID |
CP0805343
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| Compound Name |
3-(N-(3-(4-(tert-Butoxycarbonyl)phenylamino)-3-oxopropyl)sulfamoyl)benzamidinium trifluoroacetate
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| Structure |
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| Formula |
C23H27F3N4O7S
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| Molecular Weight |
560.551
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| Canonical SMILES |
CC(C)(C)OC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2cccc(C(=N)N)c2)cc1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C21H26N4O5S.C2HF3O2/c1-21(2,3)30-20(27)14-7-9-16(10-8-14)25-18(26)11-12-24-31(28,29)17-6-4-5-15(13-17)19(22)23;3-2(4,5)1(6)7/h4-10,13,24H,11-12H2,1-3H3,(H3,22,23)(H,25,26);(H,6,7)
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| InChIKey |
YVCJRLLOCSAATQ-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