General Information of the Compound
| Compound ID |
CP0414121
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| Compound Name |
N-[2-methyl-3-[1-methyl-5-[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)anilino]-6-oxopyridin-3-yl]phenyl]-4-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C35H32F3N5O5
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| Molecular Weight |
659.665
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| Canonical SMILES |
Cc1c(NC(=O)c2ccc(cc2)C(F)(F)F)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1
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| InChI |
InChI=1S/C35H32F3N5O5/c1-4-31(44)40-29-19-25(12-13-27(29)33(46)43-14-16-48-17-15-43)39-30-18-23(20-42(3)34(30)47)26-6-5-7-28(21(26)2)41-32(45)22-8-10-24(11-9-22)35(36,37)38/h4-13,18-20,39H,1,14-17H2,2-3H3,(H,40,44)(H,41,45)
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| InChIKey |
PQHMNIBNNTVEFI-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