General Information of the Compound
| Compound ID |
CP0456072
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| Compound Name |
ethyl 3-(N-acetyl-4-ethylanilino)-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylate
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| Structure |
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| Formula |
C30H29N7O3
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| Molecular Weight |
535.608
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| Canonical SMILES |
CCOC(=O)c1cn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)nc1N(C(C)=O)c1ccc(CC)cc1
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| InChI |
InChI=1S/C30H29N7O3/c1-4-21-12-16-24(17-13-21)37(20(3)38)29-27(30(39)40-5-2)19-36(33-29)18-22-10-14-23(15-11-22)25-8-6-7-9-26(25)28-31-34-35-32-28/h6-17,19H,4-5,18H2,1-3H3,(H,31,32,34,35)
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| InChIKey |
ZRKBNUZOKJVGON-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