General Information of the Compound
| Compound ID |
CP0455724
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| Compound Name |
[1-(3,4-dimethoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone
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| Structure |
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| Formula |
C26H24N2O3
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| Molecular Weight |
412.489
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| Canonical SMILES |
COc1ccc(cc1OC)C1N(CCc2c1[nH]c1ccccc21)C(=O)c1ccccc1
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| InChI |
InChI=1S/C26H24N2O3/c1-30-22-13-12-18(16-23(22)31-2)25-24-20(19-10-6-7-11-21(19)27-24)14-15-28(25)26(29)17-8-4-3-5-9-17/h3-13,16,25,27H,14-15H2,1-2H3
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| InChIKey |
URHAIHPRBSISPW-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