General Information of the Compound
| Compound ID |
CP0414316
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| Compound Name |
tert-butyl 8-isoquinolin-4-yl-2,8-diazaspiro[4.5]decane-2-carboxylate
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| Structure |
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| Formula |
C22H29N3O2
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| Molecular Weight |
367.493
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC2(C1)CCN(CC2)c1cncc2ccccc12
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| InChI |
InChI=1S/C22H29N3O2/c1-21(2,3)27-20(26)25-13-10-22(16-25)8-11-24(12-9-22)19-15-23-14-17-6-4-5-7-18(17)19/h4-7,14-15H,8-13,16H2,1-3H3
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| InChIKey |
ATFGHGYWJCFAPC-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