General Information of the Compound
| Compound ID |
CP0862983
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| Compound Name |
N-(1-(2-(benzyloxy)-5-chlorobenzyl)-1H-pyrazol-3-yl)-2-phenylacetamide
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| Structure |
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| Formula |
C25H22ClN3O2
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| Molecular Weight |
431.923
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| Canonical SMILES |
O=C(Cc1ccccc1)Nc1ccn(Cc2cc(Cl)ccc2OCc2ccccc2)n1
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| InChI |
InChI=1S/C25H22ClN3O2/c26-22-11-12-23(31-18-20-9-5-2-6-10-20)21(16-22)17-29-14-13-24(28-29)27-25(30)15-19-7-3-1-4-8-19/h1-14,16H,15,17-18H2,(H,27,28,30)
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| InChIKey |
IBMLTYHTAMIFMN-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