General Information of the Compound
| Compound ID |
CP0914644
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| Compound Name |
3-(5-amino-2-(pyridin-3-ylmethyl)-8-(pyrimidin-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)benzonitrile
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| Formula |
C22H15N9
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| Molecular Weight |
405.425
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| Canonical SMILES |
N#Cc1cccc(-c2nc(N)n3nc(Cc4cccnc4)nc3c2-c2ccncn2)c1
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| InChI |
InChI=1S/C22H15N9/c23-11-14-3-1-5-16(9-14)20-19(17-6-8-26-13-27-17)21-28-18(30-31(21)22(24)29-20)10-15-4-2-7-25-12-15/h1-9,12-13H,10H2,(H2,24,29)
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| InChIKey |
KHGDDPYSVZXKSS-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