General Information of the Compound
| Compound ID |
CP0412741
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| Compound Name |
4-methoxy-N-[2-[2-(6-methoxypyridin-3-yl)tetrazol-5-yl]phenyl]benzamide
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| Structure |
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| Formula |
C21H18N6O3
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| Molecular Weight |
402.414
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| Canonical SMILES |
COc1ccc(cc1)C(=O)Nc1ccccc1-c1nnn(n1)-c1ccc(OC)nc1
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| InChI |
InChI=1S/C21H18N6O3/c1-29-16-10-7-14(8-11-16)21(28)23-18-6-4-3-5-17(18)20-24-26-27(25-20)15-9-12-19(30-2)22-13-15/h3-13H,1-2H3,(H,23,28)
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| InChIKey |
NKCMBXOIBIVSTB-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