General Information of the Compound
| Compound ID |
CP0414315
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| Compound Name |
1-(8-isoquinolin-4-yl-2,8-diazaspiro[4.5]decan-2-yl)ethanone
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| Structure |
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| Formula |
C19H23N3O
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| Molecular Weight |
309.413
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| Canonical SMILES |
CC(=O)N1CCC2(C1)CCN(CC2)c1cncc2ccccc12
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| InChI |
InChI=1S/C19H23N3O/c1-15(23)22-11-8-19(14-22)6-9-21(10-7-19)18-13-20-12-16-4-2-3-5-17(16)18/h2-5,12-13H,6-11,14H2,1H3
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| InChIKey |
DSPFNCDTTMUIIC-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