General Information of the Compound
| Compound ID |
CP0446422
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| Compound Name |
[1-(3-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone
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| Structure |
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| Formula |
C25H22N2O2
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| Molecular Weight |
382.463
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| Canonical SMILES |
COc1cccc(c1)C1N(CCc2c1[nH]c1ccccc21)C(=O)c1ccccc1
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| InChI |
InChI=1S/C25H22N2O2/c1-29-19-11-7-10-18(16-19)24-23-21(20-12-5-6-13-22(20)26-23)14-15-27(24)25(28)17-8-3-2-4-9-17/h2-13,16,24,26H,14-15H2,1H3
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| InChIKey |
HBFNBIUDWKZWTH-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