General Information of the Compound
| Compound ID |
CP0453363
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| Compound Name |
US9187429, 1
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| Structure |
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| Formula |
C16H15N3
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| Molecular Weight |
249.317
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| Canonical SMILES |
NC1CCCc2c1cncc2-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C16H15N3/c17-8-11-4-6-12(7-5-11)14-9-19-10-15-13(14)2-1-3-16(15)18/h4-7,9-10,16H,1-3,18H2
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| InChIKey |
KAIKMBLZNQPQSC-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