General Information of the Compound
| Compound ID |
CP0381689
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| Compound Name |
methyl N-hydroxy-N-[3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]prop-2-ynyl]carbamate
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| Structure |
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| Formula |
C22H21N3O4
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| Molecular Weight |
391.427
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| Canonical SMILES |
COC(=O)N(O)CC#Cc1cc(-c2ccc(C)cc2)n(n1)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C22H21N3O4/c1-16-6-8-17(9-7-16)21-15-18(5-4-14-24(27)22(26)29-3)23-25(21)19-10-12-20(28-2)13-11-19/h6-13,15,27H,14H2,1-3H3
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| InChIKey |
CWHTZHVAHJVHGB-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