General Information of the Compound
| Compound ID |
CP0316877
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| Compound Name |
benzimidazole analogue, 5a
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| Structure |
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| Formula |
C18H27ClN4S
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| Molecular Weight |
366.962
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| Canonical SMILES |
CCN1CCN([C@H](C)C1)c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl
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| InChI |
InChI=1S/C18H27ClN4S/c1-6-22-7-8-23(12(2)11-22)16-10-15-14(9-13(16)19)20-17(21-15)24-18(3,4)5/h9-10,12H,6-8,11H2,1-5H3,(H,20,21)/t12-/m1/s1
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| InChIKey |
NDISOCGETLUCIC-GFCCVEGCSA-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