General Information of the Compound
| Compound ID |
CP0504797
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| Compound Name |
8-(5-Phenylpyridin-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 |
C22H18N2O
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| Molecular Weight |
326.399
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| Canonical SMILES |
O=C1CCc2cc(cc3CCN1c23)-c1cncc(c1)-c1ccccc1
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| InChI |
InChI=1S/C22H18N2O/c25-21-7-6-16-10-18(11-17-8-9-24(21)22(16)17)20-12-19(13-23-14-20)15-4-2-1-3-5-15/h1-5,10-14H,6-9H2
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| InChIKey |
AUBXIDQQPRBENL-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