General Information of the Compound
| Compound ID |
CP0446424
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| Compound Name |
[1-(3-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methoxyphenyl)methanone
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| Structure |
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| Formula |
C25H21ClN2O2
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| Molecular Weight |
416.908
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| Canonical SMILES |
COc1ccc(cc1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1cccc(Cl)c1
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| InChI |
InChI=1S/C25H21ClN2O2/c1-30-19-11-9-16(10-12-19)25(29)28-14-13-21-20-7-2-3-8-22(20)27-23(21)24(28)17-5-4-6-18(26)15-17/h2-12,15,24,27H,13-14H2,1H3
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| InChIKey |
VTHHNXQVCOMVAW-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