General Information of the Compound
| Compound ID |
CP0404338
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| Compound Name |
Butyl-[3-(2,4-dichloro-phenyl)-2,5-dimethyl-2H-pyrazolo[4,3-b]pyridin-7-yl]-[2-(4-methoxy-phenyl)-ethyl]-amine
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| Structure |
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| Formula |
C27H30Cl2N4O
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| Molecular Weight |
497.47
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| Canonical SMILES |
CCCCN(CCc1ccc(OC)cc1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12
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| InChI |
InChI=1S/C27H30Cl2N4O/c1-5-6-14-33(15-13-19-7-10-21(34-4)11-8-19)24-16-18(2)30-26-25(24)31-32(3)27(26)22-12-9-20(28)17-23(22)29/h7-12,16-17H,5-6,13-15H2,1-4H3
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| InChIKey |
ORJVKQQOAKHYRL-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