General Information of the Compound
| Compound ID |
CP0201513
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| Compound Name |
benzimidazole analogue, 7b
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| Structure |
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| Formula |
C20H30ClN5O2S
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| Molecular Weight |
440.013
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| Canonical SMILES |
CCN1CCN(CC1)c1cc2[nH]c(SC(C)(C)CCNC(=O)OC)nc2cc1Cl
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| InChI |
InChI=1S/C20H30ClN5O2S/c1-5-25-8-10-26(11-9-25)17-13-16-15(12-14(17)21)23-18(24-16)29-20(2,3)6-7-22-19(27)28-4/h12-13H,5-11H2,1-4H3,(H,22,27)(H,23,24)
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| InChIKey |
KSCWTTCOLGDTCV-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