General Information of the Compound
| Compound ID |
CP0530754
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| Compound Name |
3-(2-benzoyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)benzonitrile
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| Structure |
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| Formula |
C25H19N3O
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| Molecular Weight |
377.447
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| Canonical SMILES |
O=C(N1CCc2c([nH]c3ccccc23)C1c1cccc(c1)C#N)c1ccccc1
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| InChI |
InChI=1S/C25H19N3O/c26-16-17-7-6-10-19(15-17)24-23-21(20-11-4-5-12-22(20)27-23)13-14-28(24)25(29)18-8-2-1-3-9-18/h1-12,15,24,27H,13-14H2
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| InChIKey |
JFYIGAAQIDTDQO-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