General Information of the Compound
| Compound ID |
CP0460744
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| Compound Name |
Butyl-[3-(2,4-dichloro-phenyl)-1,5-dimethyl-1H-pyrazolo[4,3-b]pyridin-7-yl]-(2-pyridin-2-yl-ethyl)-amine
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| Structure |
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| Formula |
C25H27Cl2N5
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| Molecular Weight |
468.432
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| Canonical SMILES |
CCCCN(CCc1ccccn1)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C25H27Cl2N5/c1-4-5-13-32(14-11-19-8-6-7-12-28-19)22-15-17(2)29-24-23(30-31(3)25(22)24)20-10-9-18(26)16-21(20)27/h6-10,12,15-16H,4-5,11,13-14H2,1-3H3
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| InChIKey |
VWEMEIISYUXVEQ-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