General Information of the Compound
| Compound ID |
CP0548653
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| Compound Name |
4-tert-butyl-N-[2-methyl-3-[1-methyl-5-[4-(4-methylpiperazine-1-carbonyl)-3-(prop-2-enoylamino)anilino]-6-oxopyridin-3-yl]phenyl]benzamide
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| Structure |
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| Formula |
C39H44N6O4
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| Molecular Weight |
660.819
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| Canonical SMILES |
CN1CCN(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/C39H44N6O4/c1-8-35(46)41-33-23-29(16-17-31(33)37(48)45-20-18-43(6)19-21-45)40-34-22-27(24-44(7)38(34)49)30-10-9-11-32(25(30)2)42-36(47)26-12-14-28(15-13-26)39(3,4)5/h8-17,22-24,40H,1,18-21H2,2-7H3,(H,41,46)(H,42,47)
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| InChIKey |
CVVUBZKRYRLUIA-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