General Information of the Compound
| Compound ID |
CP0418817
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| Compound Name |
N-[4-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]but-3-yn-2-yl]-N-hydroxymorpholine-4-carboxamide
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| Structure |
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| Formula |
C25H25ClN4O4
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| Molecular Weight |
480.952
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| Canonical SMILES |
COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C#CC(C)N(O)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C25H25ClN4O4/c1-18(30(32)25(31)28-13-15-34-16-14-28)3-8-21-17-24(19-4-6-20(26)7-5-19)29(27-21)22-9-11-23(33-2)12-10-22/h4-7,9-12,17-18,32H,13-16H2,1-2H3
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| InChIKey |
BRTBFGMBOCIGLD-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