General Information of the Compound
| Compound ID |
CP0534587
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| Compound Name |
5-cyclopropyl-3-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C18H21N7
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| Molecular Weight |
335.415
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| Canonical SMILES |
CN1Cc2ccccc2CC1Cn1nnc2c(N)nc(nc12)C1CC1
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| InChI |
InChI=1S/C18H21N7/c1-24-9-13-5-3-2-4-12(13)8-14(24)10-25-18-15(22-23-25)16(19)20-17(21-18)11-6-7-11/h2-5,11,14H,6-10H2,1H3,(H2,19,20,21)
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| InChIKey |
QHMVRLUDLVYFIO-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