General Information of the Compound
| Compound ID |
CP0446487
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| Compound Name |
phenyl-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
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| Structure |
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| Formula |
C24H20N2O
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| Molecular Weight |
352.437
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| Canonical SMILES |
O=C(N1CCc2c([nH]c3ccccc23)C1c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C24H20N2O/c27-24(18-11-5-2-6-12-18)26-16-15-20-19-13-7-8-14-21(19)25-22(20)23(26)17-9-3-1-4-10-17/h1-14,23,25H,15-16H2
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| InChIKey |
PZQCDTFVPWETSB-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: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2