General Information of the Compound
| Compound ID |
CP0538637
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| Compound Name |
(4-chlorophenyl)-[1-(3,4-difluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone
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| Structure |
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| Formula |
C24H17ClF2N2O
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| Molecular Weight |
422.862
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| Canonical SMILES |
Fc1ccc(cc1F)C1N(CCc2c1[nH]c1ccccc21)C(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H17ClF2N2O/c25-16-8-5-14(6-9-16)24(30)29-12-11-18-17-3-1-2-4-21(17)28-22(18)23(29)15-7-10-19(26)20(27)13-15/h1-10,13,23,28H,11-12H2
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| InChIKey |
KBMTYOXVAGVZLK-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