General Information of the Compound
| Compound ID |
CP0416385
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| Compound Name |
1-[5-(dimethylamino)pyridin-3-yl]-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-yl]pyrazole-4-carboxamide
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| Structure |
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| Formula |
C22H25N9O2
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| Molecular Weight |
447.503
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| Canonical SMILES |
COc1nn(cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C)-c1cncc(c1)N(C)C
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| InChI |
InChI=1S/C22H25N9O2/c1-14(2)30-13-24-27-20(30)18-7-6-8-19(25-18)26-21(32)17-12-31(28-22(17)33-5)16-9-15(29(3)4)10-23-11-16/h6-14H,1-5H3,(H,25,26,32)
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| InChIKey |
KQBPDUUHJYKERD-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