General Information of the Compound
| Compound ID |
CP0410699
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| Compound Name |
4-tert-butyl-N-[2-methyl-3-[1-methyl-5-[4-methyl-3-(prop-2-enoylamino)anilino]-6-oxopyridin-3-yl]phenyl]benzamide
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| Structure |
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| Formula |
C34H36N4O3
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| Molecular Weight |
548.687
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| Canonical SMILES |
Cc1ccc(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/C34H36N4O3/c1-8-31(39)36-29-19-26(17-12-21(29)2)35-30-18-24(20-38(7)33(30)41)27-10-9-11-28(22(27)3)37-32(40)23-13-15-25(16-14-23)34(4,5)6/h8-20,35H,1H2,2-7H3,(H,36,39)(H,37,40)
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| InChIKey |
SFCCHGNNSITWQR-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