General Information of the Compound
| Compound ID |
CP0867396
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| Compound Name |
3-Carbamimidoylsulfanylmethyl-4-(2-carbamimidoylsulfanylmethyl-4-fluoro-phenylsulfanyl)-N,N-dimethyl-benzenesulfonamide hydrobromide
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| Structure |
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| Formula |
C18H23BrFN5O2S4
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| Molecular Weight |
568.585
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| Canonical SMILES |
Br.CN(C)S(=O)(=O)c1ccc(Sc2ccc(F)cc2CSC(=N)N)c(CSC(=N)N)c1
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| InChI |
InChI=1S/C18H22FN5O2S4.BrH/c1-24(2)30(25,26)14-4-6-16(12(8-14)10-28-18(22)23)29-15-5-3-13(19)7-11(15)9-27-17(20)21;/h3-8H,9-10H2,1-2H3,(H3,20,21)(H3,22,23);1H
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| InChIKey |
VCOWSXCXWQPBKZ-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