General Information of the Compound
| Compound ID |
CP0468838
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| Compound Name |
2-bromo-N-[4-[[2-[2-(3-methoxyphenyl)tetrazol-5-yl]phenyl]carbamoylamino]phenyl]acetamide
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| Structure |
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| Formula |
C23H20BrN7O3
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| Molecular Weight |
522.363
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| Canonical SMILES |
COc1cccc(c1)-n1nnc(n1)-c1ccccc1NC(=O)Nc1ccc(NC(=O)CBr)cc1
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| InChI |
InChI=1S/C23H20BrN7O3/c1-34-18-6-4-5-17(13-18)31-29-22(28-30-31)19-7-2-3-8-20(19)27-23(33)26-16-11-9-15(10-12-16)25-21(32)14-24/h2-13H,14H2,1H3,(H,25,32)(H2,26,27,33)
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| InChIKey |
KMCDXXUBPYNMMR-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