General Information of the Compound
| Compound ID |
CP0414307
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| Compound Name |
4-(8-azaspiro[4.5]decan-8-yl)isoquinoline
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| Structure |
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| Formula |
C18H22N2
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| Molecular Weight |
266.388
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| Canonical SMILES |
C1CCC2(C1)CCN(CC2)c1cncc2ccccc12
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| InChI |
InChI=1S/C18H22N2/c1-2-6-16-15(5-1)13-19-14-17(16)20-11-9-18(10-12-20)7-3-4-8-18/h1-2,5-6,13-14H,3-4,7-12H2
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| InChIKey |
RFERWVRPLUDUIY-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