General Information of the Compound
| Compound ID |
CP0524092
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| Compound Name |
2-[2-[4-[5-[(1-ethylpyrazol-3-yl)amino]triazolo[4,5-d]pyrimidin-1-yl]phenyl]propan-2-yloxy]ethanol
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| Synonyms |
A-127
BDBM50011235
GTPL8169
WO2013110309CA127
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| Structure |
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| Formula |
C20H24N8O2
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| Molecular Weight |
408.466
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| Canonical SMILES |
CCn1ccc(Nc2ncc3n(nnc3n2)-c2ccc(cc2)C(C)(C)OCCO)n1
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| InChI |
InChI=1S/C20H24N8O2/c1-4-27-10-9-17(25-27)22-19-21-13-16-18(23-19)24-26-28(16)15-7-5-14(6-8-15)20(2,3)30-12-11-29/h5-10,13,29H,4,11-12H2,1-3H3,(H,21,22,23,25)
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| InChIKey |
XNAMZBCMLZQBIC-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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Clinical Information about the Compound