General Information of the Compound
| Compound ID |
CP0463623
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| Compound Name |
Butyl-[3-(2,4-dichloro-phenyl)-1-ethyl-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-yl]-ethyl-amine
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| Structure |
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| Formula |
C21H26Cl2N4
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| Molecular Weight |
405.373
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| Canonical SMILES |
CCCCN(CC)c1cc(C)nc2c(nn(CC)c12)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C21H26Cl2N4/c1-5-8-11-26(6-2)18-12-14(4)24-20-19(25-27(7-3)21(18)20)16-10-9-15(22)13-17(16)23/h9-10,12-13H,5-8,11H2,1-4H3
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| InChIKey |
PWXWSTUFCQLEAY-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