General Information of the Compound
| Compound ID |
CP0408911
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| Compound Name |
8-isoquinolin-4-yl-2,8-diazaspiro[4.5]decane
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| Structure |
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| Formula |
C17H21N3
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| Molecular Weight |
267.376
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| Canonical SMILES |
C1CC2(CN1)CCN(CC2)c1cncc2ccccc12
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| InChI |
InChI=1S/C17H21N3/c1-2-4-15-14(3-1)11-19-12-16(15)20-9-6-17(7-10-20)5-8-18-13-17/h1-4,11-12,18H,5-10,13H2
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| InChIKey |
XGTHXCDVFPLIQC-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