General Information of the Compound
| Compound ID |
CP0857305
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| Compound Name |
4-(N-(3-(4-Amidiniobenzylamino)-3-oxopropyl)sulfamoyl)benzamidinium bis(trifluoroacetate)
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| Structure |
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| Formula |
C22H24F6N6O7S
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| Molecular Weight |
630.524
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| Canonical SMILES |
N=C(N)c1ccc(CNC(=O)CCNS(=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/C18H22N6O3S.2C2HF3O2/c19-17(20)13-3-1-12(2-4-13)11-23-16(25)9-10-24-28(26,27)15-7-5-14(6-8-15)18(21)22;2*3-2(4,5)1(6)7/h1-8,24H,9-11H2,(H3,19,20)(H3,21,22)(H,23,25);2*(H,6,7)
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| InChIKey |
KYYAZARVKYZBBP-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