General Information of the Compound
| Compound ID |
CP0688800
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| Compound Name |
2-(4-(2-((1H-Benzo[d]imidazol-2-yl)thio)-ethyl)piperazin-1-yl)-N-(6-methyl-2,4-bis(methylthio)-pyridin-3-yl)acetamide hydrochloride
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| Structure |
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| Formula |
C23H31ClN6OS3
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| Molecular Weight |
539.196
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| Canonical SMILES |
CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCSc2nc3ccccc3[nH]2)CC1.Cl
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| InChI |
InChI=1S/C23H30N6OS3.ClH/c1-16-14-19(31-2)21(22(24-16)32-3)27-20(30)15-29-10-8-28(9-11-29)12-13-33-23-25-17-6-4-5-7-18(17)26-23;/h4-7,14H,8-13,15H2,1-3H3,(H,25,26)(H,27,30);1H
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| InChIKey |
FIESYXUDBWMLRP-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