General Information of the Compound
| Compound ID |
CP0474210
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| Compound Name |
(9-ethyl-1-phenyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-phenylmethanone
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| Structure |
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| Formula |
C26H24N2O
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| Molecular Weight |
380.491
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| Canonical SMILES |
CCn1c2C(N(CCc2c2ccccc12)C(=O)c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C26H24N2O/c1-2-27-23-16-10-9-15-21(23)22-17-18-28(26(29)20-13-7-4-8-14-20)24(25(22)27)19-11-5-3-6-12-19/h3-16,24H,2,17-18H2,1H3
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| InChIKey |
XGXFMQLSPAGIME-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