General Information of the Compound
| Compound ID |
CP0037255
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| Compound Name |
(-)3-Isopropyl-5-{[(trans)-2-(pyrimidin-2-ylamino)cyclohexyl]methyl}-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
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| Structure |
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| Formula |
C19H25N7O
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| Molecular Weight |
367.457
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| Canonical SMILES |
CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1Nc1ncccn1)[nH]c2=O
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| InChI |
InChI=1S/C19H25N7O/c1-11(2)15-16-17(26-25-15)18(27)24-14(23-16)10-12-6-3-4-7-13(12)22-19-20-8-5-9-21-19/h5,8-9,11-13H,3-4,6-7,10H2,1-2H3,(H,25,26)(H,20,21,22)(H,23,24,27)/t12-,13+/m0/s1
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| InChIKey |
BJVCVIRGZHSCSW-QWHCGFSZSA-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