General Information of the Compound
| Compound ID |
CP0432441
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| Compound Name |
5-cyclopropyl-3-[[(2R)-4-(pyrimidin-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C17H21N9O
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| Molecular Weight |
367.417
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| Canonical SMILES |
Nc1nc(nc2n(C[C@H]3CN(Cc4ncccn4)CCO3)nnc12)C1CC1
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| InChI |
InChI=1S/C17H21N9O/c18-15-14-17(22-16(21-15)11-2-3-11)26(24-23-14)9-12-8-25(6-7-27-12)10-13-19-4-1-5-20-13/h1,4-5,11-12H,2-3,6-10H2,(H2,18,21,22)/t12-/m1/s1
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| InChIKey |
HPCORJNAWMFGNF-GFCCVEGCSA-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