General Information of the Compound
| Compound ID |
CP0368393
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| Compound Name |
4-[[1-(5-cyanopyridin-2-yl)piperidin-4-yl]amino]-6-(pyrimidin-4-ylamino)pyridine-3-carboxamide
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| Structure |
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| Formula |
C21H21N9O
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| Molecular Weight |
415.461
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| Canonical SMILES |
NC(=O)c1cnc(Nc2ccncn2)cc1NC1CCN(CC1)c1ccc(cn1)C#N
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| InChI |
InChI=1S/C21H21N9O/c22-10-14-1-2-20(26-11-14)30-7-4-15(5-8-30)28-17-9-19(25-12-16(17)21(23)31)29-18-3-6-24-13-27-18/h1-3,6,9,11-13,15H,4-5,7-8H2,(H2,23,31)(H2,24,25,27,28,29)
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| InChIKey |
LGSRWIXAYAGSJU-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