General Information of the Compound
| Compound ID |
CP0542607
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| Compound Name |
2,3-dihydro-1,4-benzodioxin-6-yl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
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| Formula |
C19H19N5O3
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| Molecular Weight |
365.393
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| Canonical SMILES |
O=C(N1CCC[C@@H](C1)c1ccnc2ncnn12)c1ccc2OCCOc2c1
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| InChI |
InChI=1S/C19H19N5O3/c25-18(13-3-4-16-17(10-13)27-9-8-26-16)23-7-1-2-14(11-23)15-5-6-20-19-21-12-22-24(15)19/h3-6,10,12,14H,1-2,7-9,11H2/t14-/m0/s1
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| InChIKey |
KDUYCGXHIZWGQY-AWEZNQCLSA-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: PT02512, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Protein ID: PT02047, cGMP-dependent 3',5'-cyclic phosphodiesterase
Protein ID: PT01798, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A