General Information of the Compound
| Compound ID |
CP0478813
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| Compound Name |
US9353081, 12
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| Structure |
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| Formula |
C20H24N4O
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| Molecular Weight |
336.439
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| Canonical SMILES |
CN1C(=O)CCc2cc(ccc12)-c1cncc2N(CCN)CCCc12
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| InChI |
InChI=1S/C20H24N4O/c1-23-18-6-4-14(11-15(18)5-7-20(23)25)17-12-22-13-19-16(17)3-2-9-24(19)10-8-21/h4,6,11-13H,2-3,5,7-10,21H2,1H3
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| InChIKey |
TZELLUZARLORKL-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