General Information of the Compound
| Compound ID |
CP0876446
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| Compound Name |
benzyl 1-(2-(benzyloxy)-5-chlorobenzyl)-5-methyl-1H-pyrazol-3-ylcarbamate
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| Structure |
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| Formula |
C26H24ClN3O3
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| Molecular Weight |
461.949
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| Canonical SMILES |
Cc1cc(NC(=O)OCc2ccccc2)nn1Cc1cc(Cl)ccc1OCc1ccccc1
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| InChI |
InChI=1S/C26H24ClN3O3/c1-19-14-25(28-26(31)33-18-21-10-6-3-7-11-21)29-30(19)16-22-15-23(27)12-13-24(22)32-17-20-8-4-2-5-9-20/h2-15H,16-18H2,1H3,(H,28,29,31)
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| InChIKey |
BICROVYPKMNVFO-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