General Information of the Compound
| Compound ID |
CP0557827
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| Compound Name |
5-cyclopropyl-3-(2,3-dihydro-1-benzofuran-5-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C16H16N6O
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| Molecular Weight |
308.345
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| Canonical SMILES |
Nc1nc(nc2n(Cc3ccc4OCCc4c3)nnc12)C1CC1
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| InChI |
InChI=1S/C16H16N6O/c17-14-13-16(19-15(18-14)10-2-3-10)22(21-20-13)8-9-1-4-12-11(7-9)5-6-23-12/h1,4,7,10H,2-3,5-6,8H2,(H2,17,18,19)
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| InChIKey |
AVFBPEQFYFCOSS-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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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