General Information of the Compound
| Compound ID |
CP0412958
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| Compound Name |
4-(1,3-dihydroisoindol-2-yl)-1-methyl-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine
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| Structure |
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| Formula |
C18H21N5
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| Molecular Weight |
307.401
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| Canonical SMILES |
CC(C)Cc1nn(C)c2ncnc(N3Cc4ccccc4C3)c12
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| InChI |
InChI=1S/C18H21N5/c1-12(2)8-15-16-17(22(3)21-15)19-11-20-18(16)23-9-13-6-4-5-7-14(13)10-23/h4-7,11-12H,8-10H2,1-3H3
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| InChIKey |
QDLHVJUUWADJLS-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