General Information of the Compound
| Compound ID |
CP0551199
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| Compound Name |
5,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methylpyridin-2-yl]methyl]-1H-benzimidazol-2-amine
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| Formula |
C19H18Cl2N6
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| Molecular Weight |
401.301
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| Canonical SMILES |
Cc1nn(C)cc1-c1cnc(CNc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1C
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| InChI |
InChI=1S/C19H18Cl2N6/c1-10-4-12(22-8-13(10)14-9-27(3)26-11(14)2)7-23-19-24-17-5-15(20)16(21)6-18(17)25-19/h4-6,8-9H,7H2,1-3H3,(H2,23,24,25)
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| InChIKey |
BEURPPOYQYVMBZ-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
Protein ID: PT01837, Sphingosine 1-phosphate receptor 2