General Information of the Compound
| Compound ID |
CP0534735
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| Compound Name |
4-methyl-N-[2-methyl-3-[1-methyl-5-[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)anilino]-6-oxopyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C36H34F3N5O5
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| Molecular Weight |
673.692
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| Canonical SMILES |
Cc1ccc(cc1C(F)(F)F)C(=O)Nc1cccc(c1C)-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1
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| InChI |
InChI=1S/C36H34F3N5O5/c1-5-32(45)41-30-19-25(11-12-27(30)34(47)44-13-15-49-16-14-44)40-31-18-24(20-43(4)35(31)48)26-7-6-8-29(22(26)3)42-33(46)23-10-9-21(2)28(17-23)36(37,38)39/h5-12,17-20,40H,1,13-16H2,2-4H3,(H,41,45)(H,42,46)
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| InChIKey |
RGEWSITVFJSBNB-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