General Information of the Compound
Compound ID |
CP0447344
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Compound Name |
4-tert-butyl-N-[3-[5-[4-(4-methoxypiperidine-1-carbonyl)-3-(prop-2-enoylamino)anilino]-1-methyl-6-oxopyridin-3-yl]-2-methylphenyl]benzamide
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Structure |
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Formula |
C40H45N5O5
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Molecular Weight |
675.83
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Canonical SMILES |
COC1CCN(CC1)C(=O)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(NC(=O)c3ccc(cc3)C(C)(C)C)c2C)cc1NC(=O)C=C
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InChI |
InChI=1S/C40H45N5O5/c1-8-36(46)42-34-23-29(16-17-32(34)38(48)45-20-18-30(50-7)19-21-45)41-35-22-27(24-44(6)39(35)49)31-10-9-11-33(25(31)2)43-37(47)26-12-14-28(15-13-26)40(3,4)5/h8-17,22-24,30,41H,1,18-21H2,2-7H3,(H,42,46)(H,43,47)
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InChIKey |
SGWJIKDTFAMBBT-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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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