General Information of the Compound
| Compound ID |
CP0484615
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| Compound Name |
ethyl 3-(3-methylanilino)-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylate
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| Structure |
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| Formula |
C27H25N7O2
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| Molecular Weight |
479.544
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)nc1Nc1cccc(C)c1
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| InChI |
InChI=1S/C27H25N7O2/c1-3-36-27(35)24-17-34(31-25(24)28-21-8-6-7-18(2)15-21)16-19-11-13-20(14-12-19)22-9-4-5-10-23(22)26-29-32-33-30-26/h4-15,17H,3,16H2,1-2H3,(H,28,31)(H,29,30,32,33)
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| InChIKey |
FERVZELTMKGKFN-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