General Information of the Compound
| Compound ID |
CP0461712
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| Compound Name |
5-cycloheptyl-6-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
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| Structure |
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| Formula |
C19H22N4O
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| Molecular Weight |
322.412
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| Canonical SMILES |
Cc1nc2n(ncc2c(=O)n1C1CCCCCC1)-c1ccccc1
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| InChI |
InChI=1S/C19H22N4O/c1-14-21-18-17(13-20-23(18)16-11-7-4-8-12-16)19(24)22(14)15-9-5-2-3-6-10-15/h4,7-8,11-13,15H,2-3,5-6,9-10H2,1H3
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| InChIKey |
XXGYXSBVKSTSIS-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