General Information of the Compound
| Compound ID |
CP0163895
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| Compound Name |
5-((1S,2R)-2-aminocyclohexylamino)-7-(3,5-dimethoxyphenylamino)-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxamide
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| Structure |
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| Formula |
C20H26N8O3
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| Molecular Weight |
426.481
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| Canonical SMILES |
COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3cnnc3c2C(N)=O)cc(OC)c1
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| InChI |
InChI=1S/C20H26N8O3/c1-30-12-7-11(8-13(9-12)31-2)24-18-16(17(22)29)19-27-23-10-28(19)20(26-18)25-15-6-4-3-5-14(15)21/h7-10,14-15,24H,3-6,21H2,1-2H3,(H2,22,29)(H,25,26)/t14-,15+/m1/s1
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| InChIKey |
JMJSTGZRLYHCCI-CABCVRRESA-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