General Information of the Compound
| Compound ID |
CP0540743
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| Compound Name |
N-[1-(2,5-dichloropyridin-4-yl)azetidin-3-yl]-2,3-dimethylbenzimidazole-5-carboxamide
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| Structure |
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| Formula |
C18H17Cl2N5O
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| Molecular Weight |
390.274
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| Canonical SMILES |
Cc1nc2ccc(cc2n1C)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
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| InChI |
InChI=1S/C18H17Cl2N5O/c1-10-22-14-4-3-11(5-16(14)24(10)2)18(26)23-12-8-25(9-12)15-6-17(20)21-7-13(15)19/h3-7,12H,8-9H2,1-2H3,(H,23,26)
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| InChIKey |
OLYKIPOTLALHPL-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