General Information of the Compound
| Compound ID |
CP0490267
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| Compound Name |
methyl N-hydroxy-N-[4-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]but-3-yn-2-yl]carbamate
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| Structure |
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| Formula |
C23H23N3O4
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| Molecular Weight |
405.454
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| Canonical SMILES |
COC(=O)N(O)C(C)C#Cc1cc(-c2ccc(C)cc2)n(n1)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C23H23N3O4/c1-16-5-8-18(9-6-16)22-15-19(10-7-17(2)26(28)23(27)30-4)24-25(22)20-11-13-21(29-3)14-12-20/h5-6,8-9,11-15,17,28H,1-4H3
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| InChIKey |
PYLHIEWFFQYPSV-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