General Information of the Compound
| Compound ID |
CP0485008
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| Compound Name |
2-[4-(3-Chloro-pyridin-2-yl)-piperazin-1-yl]-5,6-dimethyl-1H-benzoimidazole
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| Structure |
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| Formula |
C18H20ClN5
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| Molecular Weight |
341.846
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| Canonical SMILES |
Cc1cc2nc([nH]c2cc1C)N1CCN(CC1)c1ncccc1Cl
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| InChI |
InChI=1S/C18H20ClN5/c1-12-10-15-16(11-13(12)2)22-18(21-15)24-8-6-23(7-9-24)17-14(19)4-3-5-20-17/h3-5,10-11H,6-9H2,1-2H3,(H,21,22)
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| InChIKey |
WFLDAKPAQAXJKJ-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