General Information of the Compound
| Compound ID |
CP0578680
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| Compound Name |
4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-oxo-8-propyl-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C21H27F3N4O4
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| Molecular Weight |
456.465
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| Canonical SMILES |
OC(=O)C(F)(F)F.CCCC1CNCc2c1[nH]c(=O)c(C#N)c2N1CCC2(COC2)CC1
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| InChI |
InChI=1S/C19H26N4O2.C2HF3O2/c1-2-3-13-9-21-10-15-16(13)22-18(24)14(8-20)17(15)23-6-4-19(5-7-23)11-25-12-19;3-2(4,5)1(6)7/h13,21H,2-7,9-12H2,1H3,(H,22,24);(H,6,7)
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| InChIKey |
FACBOKLVNCGZMC-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
Protein ID: PT07762, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
Protein ID: PT03075, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A