General Information of the Compound
| Compound ID |
CP0504551
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| Compound Name |
ethyl 3-(N-acetylanilino)-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylate
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| Structure |
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| Formula |
C28H25N7O3
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| Molecular Weight |
507.554
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)nc1N(C(C)=O)c1ccccc1
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| InChI |
InChI=1S/C28H25N7O3/c1-3-38-28(37)25-18-34(31-27(25)35(19(2)36)22-9-5-4-6-10-22)17-20-13-15-21(16-14-20)23-11-7-8-12-24(23)26-29-32-33-30-26/h4-16,18H,3,17H2,1-2H3,(H,29,30,32,33)
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| InChIKey |
OLKCLGIIQNHVQW-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