General Information of the Compound
| Compound ID |
CP0487994
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| Compound Name |
6-[(3S,4S)-4-methylpyrrolidin-3-yl]-1-(oxan-4-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
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| Structure |
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| Formula |
C15H21N5O2
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| Molecular Weight |
303.366
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| Canonical SMILES |
C[C@@H]1CNC[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1
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| InChI |
InChI=1S/C15H21N5O2/c1-9-6-16-7-11(9)13-18-14-12(15(21)19-13)8-17-20(14)10-2-4-22-5-3-10/h8-11,16H,2-7H2,1H3,(H,18,19,21)/t9-,11-/m1/s1
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| InChIKey |
PYXRQSYDODFUOC-MWLCHTKSSA-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
Protein ID: PT02038, Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C
Protein ID: PT03075, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A