General Information of the Compound
| Compound ID |
CP0466947
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| Compound Name |
8-[6-(3,3-dimethylazetidin-1-yl)pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one
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| Structure |
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| Formula |
C18H27N5O
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| Molecular Weight |
329.448
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| Canonical SMILES |
CN1CC2(CC1=O)CCN(CC2)c1cncc(n1)N1CC(C)(C)C1
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| InChI |
InChI=1S/C18H27N5O/c1-17(2)11-23(12-17)15-10-19-9-14(20-15)22-6-4-18(5-7-22)8-16(24)21(3)13-18/h9-10H,4-8,11-13H2,1-3H3
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| InChIKey |
SHSBDKQUNMMHAY-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