General Information of the Compound
| Compound ID |
CP0509489
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| Compound Name |
8-[5-(3,5-Difluorophenyl)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 |
C22H16F2N2O
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| Molecular Weight |
362.379
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| Canonical SMILES |
Fc1cc(F)cc(c1)-c1cncc(c1)-c1cc2CCN3c2c(CCC3=O)c1
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| InChI |
InChI=1S/C22H16F2N2O/c23-19-8-16(9-20(24)10-19)18-7-17(11-25-12-18)15-5-13-1-2-21(27)26-4-3-14(6-15)22(13)26/h5-12H,1-4H2
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| InChIKey |
NGYMECCPFYBFMF-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