General Information of the Compound
| Compound ID |
CP0473956
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| Compound Name |
[1-(3,4-dichlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone
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| Structure |
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| Formula |
C24H18Cl2N2O
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| Molecular Weight |
421.327
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| Canonical SMILES |
Clc1ccc(cc1Cl)C1N(CCc2c1[nH]c1ccccc21)C(=O)c1ccccc1
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| InChI |
InChI=1S/C24H18Cl2N2O/c25-19-11-10-16(14-20(19)26)23-22-18(17-8-4-5-9-21(17)27-22)12-13-28(23)24(29)15-6-2-1-3-7-15/h1-11,14,23,27H,12-13H2
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| InChIKey |
RSDQYWPOMZZGPK-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: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2