General Information of the Compound
| Compound ID |
CP0414314
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| Compound Name |
7-isoquinolin-4-yl-2-oxa-7-azaspiro[3.5]nonane
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| Structure |
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| Formula |
C16H18N2O
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| Molecular Weight |
254.333
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| Canonical SMILES |
C1OCC11CCN(CC1)c1cncc2ccccc12
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| InChI |
InChI=1S/C16H18N2O/c1-2-4-14-13(3-1)9-17-10-15(14)18-7-5-16(6-8-18)11-19-12-16/h1-4,9-10H,5-8,11-12H2
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| InChIKey |
GSPSKHPXAWDCSR-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: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial