General Information of the Compound
| Compound ID |
CP0065631
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| Compound Name |
1-(1H-indazol-6-yl)-N-[1-(oxan-4-yl)pyrazol-3-yl]triazolo[4,5-d]pyrimidin-5-amine
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| Structure |
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| Formula |
C19H18N10O
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| Molecular Weight |
402.422
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| Canonical SMILES |
C1CC(CCO1)n1ccc(Nc2ncc3n(nnc3n2)-c2ccc3cn[nH]c3c2)n1
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| InChI |
InChI=1S/C19H18N10O/c1-2-14(9-15-12(1)10-21-24-15)29-16-11-20-19(23-18(16)25-27-29)22-17-3-6-28(26-17)13-4-7-30-8-5-13/h1-3,6,9-11,13H,4-5,7-8H2,(H,21,24)(H,20,22,23,26)
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| InChIKey |
BWNLUTKKCVJOHI-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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