General Information of the Compound
| Compound ID |
CP0447342
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| Compound Name |
4-tert-butyl-N-[2-methyl-3-[1-methyl-5-[4-(morpholine-4-carbonyl)-3-(propanoylamino)anilino]-6-oxopyridin-3-yl]phenyl]benzamide
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| Structure |
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| Formula |
C38H43N5O5
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| Molecular Weight |
649.792
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| Canonical SMILES |
CCC(=O)Nc1cc(Nc2cc(cn(C)c2=O)-c2cccc(NC(=O)c3ccc(cc3)C(C)(C)C)c2C)ccc1C(=O)N1CCOCC1
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| InChI |
InChI=1S/C38H43N5O5/c1-7-34(44)40-32-22-28(15-16-30(32)36(46)43-17-19-48-20-18-43)39-33-21-26(23-42(6)37(33)47)29-9-8-10-31(24(29)2)41-35(45)25-11-13-27(14-12-25)38(3,4)5/h8-16,21-23,39H,7,17-20H2,1-6H3,(H,40,44)(H,41,45)
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| InChIKey |
SENQYYGFRJAZIB-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