General Information of the Compound
| Compound ID |
CP0464421
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| Compound Name |
N-[2-[2-(3,4-dimethoxyphenyl)tetrazol-5-yl]phenyl]-4-methoxybenzamide
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| Structure |
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| Formula |
C23H21N5O4
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| Molecular Weight |
431.452
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| Canonical SMILES |
COc1ccc(cc1)C(=O)Nc1ccccc1-c1nnn(n1)-c1ccc(OC)c(OC)c1
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| InChI |
InChI=1S/C23H21N5O4/c1-30-17-11-8-15(9-12-17)23(29)24-19-7-5-4-6-18(19)22-25-27-28(26-22)16-10-13-20(31-2)21(14-16)32-3/h4-14H,1-3H3,(H,24,29)
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| InChIKey |
KWDBAVJBAYGIMP-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