General Information of the Compound
| Compound ID |
CP0817953
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| Compound Name |
(R)-4-(N-(1-(4-Amidiniobenzylamino)-1-oxo-3-phenylpropan-2-yl)sulfamoyl)benzamidinium bis(trifluoroacetate)
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| Structure |
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| Formula |
C28H28F6N6O7S
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| Molecular Weight |
706.622
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| Canonical SMILES |
N=C(N)c1ccc(CNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C(=N)N)cc2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C24H26N6O3S.2C2HF3O2/c25-22(26)18-8-6-17(7-9-18)15-29-24(31)21(14-16-4-2-1-3-5-16)30-34(32,33)20-12-10-19(11-13-20)23(27)28;2*3-2(4,5)1(6)7/h1-13,21,30H,14-15H2,(H3,25,26)(H3,27,28)(H,29,31);2*(H,6,7)/t21-;;/m1../s1
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| InChIKey |
KRKSFZXFVLSKAT-GHVWMZMZSA-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