General Information of the Compound
| Compound ID |
CP0529300
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| Compound Name |
2-aminobenzimidazole, 5
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| Structure |
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| Formula |
C23H18ClN5O3
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| Molecular Weight |
447.882
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| Canonical SMILES |
COc1cc2ncnc(Oc3ccc4nc(Nc5ccc(Cl)cc5)[nH]c4c3)c2cc1OC
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| InChI |
InChI=1S/C23H18ClN5O3/c1-30-20-10-16-18(11-21(20)31-2)25-12-26-22(16)32-15-7-8-17-19(9-15)29-23(28-17)27-14-5-3-13(24)4-6-14/h3-12H,1-2H3,(H2,27,28,29)
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| InChIKey |
DEYZENHJMHXQGD-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