General Information of the Compound
| Compound ID |
CP0486869
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| Compound Name |
N-[2-[2-(4-ethoxyphenyl)tetrazol-5-yl]phenyl]-3,4-dimethoxybenzamide
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| Structure |
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| Formula |
C24H23N5O4
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| Molecular Weight |
445.479
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| Canonical SMILES |
CCOc1ccc(cc1)-n1nnc(n1)-c1ccccc1NC(=O)c1ccc(OC)c(OC)c1
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| InChI |
InChI=1S/C24H23N5O4/c1-4-33-18-12-10-17(11-13-18)29-27-23(26-28-29)19-7-5-6-8-20(19)25-24(30)16-9-14-21(31-2)22(15-16)32-3/h5-15H,4H2,1-3H3,(H,25,30)
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| InChIKey |
XOHZXXIUIWVFAI-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