General Information of the Compound
Compound ID |
CP0487508
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Compound Name |
5-(2,6-dimethoxyphenyl)-N-[(2S)-1-(2-methoxyethylamino)-1-oxo-4-phenylbutan-2-yl]-1-(2-methylpropyl)pyrazole-3-carboxamide
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Structure |
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Formula |
C29H38N4O5
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Molecular Weight |
522.646
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Canonical SMILES |
COCCNC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1
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InChI |
InChI=1S/C29H38N4O5/c1-20(2)19-33-24(27-25(37-4)12-9-13-26(27)38-5)18-23(32-33)29(35)31-22(28(34)30-16-17-36-3)15-14-21-10-7-6-8-11-21/h6-13,18,20,22H,14-17,19H2,1-5H3,(H,30,34)(H,31,35)/t22-/m0/s1
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InChIKey |
LRDNILHXWHZULD-QFIPXVFZSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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