General Information of the Compound
| Compound ID |
CP0513957
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| Compound Name |
2-[[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]methyl]-1-ethylbenzimidazole
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| Structure |
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| Formula |
C18H21ClN6
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| Molecular Weight |
356.861
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| Canonical SMILES |
CCn1c(CN2CCN(CC2)c2ncc(Cl)cn2)nc2ccccc12
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| InChI |
InChI=1S/C18H21ClN6/c1-2-25-16-6-4-3-5-15(16)22-17(25)13-23-7-9-24(10-8-23)18-20-11-14(19)12-21-18/h3-6,11-12H,2,7-10,13H2,1H3
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| InChIKey |
IVPJEINTAYGTFN-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