General Information of the Compound
| Compound ID |
CP0512109
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| Compound Name |
US9187429, 2
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| Structure |
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| Formula |
C18H19N3O2S
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| Molecular Weight |
341.436
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| Canonical SMILES |
CCS(=O)(=O)NC1CCCc2c1cncc2-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C18H19N3O2S/c1-2-24(22,23)21-18-5-3-4-15-16(11-20-12-17(15)18)14-8-6-13(10-19)7-9-14/h6-9,11-12,18,21H,2-5H2,1H3
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| InChIKey |
ZSJBVCOSEKPJCV-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