General Information of the Compound
| Compound ID |
CP0508402
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| Compound Name |
N-hydroxy-N-[4-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]but-3-yn-2-yl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C27H24N4O3
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| Molecular Weight |
452.514
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| Canonical SMILES |
COc1ccc(cc1)-n1nc(cc1-c1ccc(C)cc1)C#CC(C)N(O)C(=O)c1cccnc1
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| InChI |
InChI=1S/C27H24N4O3/c1-19-6-9-21(10-7-19)26-17-23(29-30(26)24-12-14-25(34-3)15-13-24)11-8-20(2)31(33)27(32)22-5-4-16-28-18-22/h4-7,9-10,12-18,20,33H,1-3H3
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| InChIKey |
CUUSTGBVBGDOHQ-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