General Information of the Compound
| Compound ID |
CP0441167
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| Compound Name |
8-{5-[3-(Trifluoromethoxy)phenyl]pyridin-3-yl}-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one
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| Structure |
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| Formula |
C23H17F3N2O2
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| Molecular Weight |
410.395
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| Canonical SMILES |
FC(F)(F)Oc1cccc(c1)-c1cncc(c1)-c1cc2CCN3c2c(CCC3=O)c1
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| InChI |
InChI=1S/C23H17F3N2O2/c24-23(25,26)30-20-3-1-2-14(11-20)18-10-19(13-27-12-18)17-8-15-4-5-21(29)28-7-6-16(9-17)22(15)28/h1-3,8-13H,4-7H2
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| InChIKey |
OXWROJAQBBVMLJ-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