General Information of the Compound
| Compound ID |
CP0065630
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| Compound Name |
1-(4-ethoxyphenyl)-N-[1-(3-piperidin-4-ylpropyl)pyrazol-3-yl]triazolo[4,5-d]pyrimidin-5-amine
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| Structure |
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| Formula |
C23H29N9O
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| Molecular Weight |
447.547
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| Canonical SMILES |
CCOc1ccc(cc1)-n1nnc2nc(Nc3ccn(CCCC4CCNCC4)n3)ncc12
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| InChI |
InChI=1S/C23H29N9O/c1-2-33-19-7-5-18(6-8-19)32-20-16-25-23(27-22(20)28-30-32)26-21-11-15-31(29-21)14-3-4-17-9-12-24-13-10-17/h5-8,11,15-17,24H,2-4,9-10,12-14H2,1H3,(H,25,26,27,29)
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| InChIKey |
NDPRRSMLHQJIAR-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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