General Information of the Compound
| Compound ID |
CP0519436
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| Compound Name |
4-tert-butyl-N-[2-methyl-3-[1-methyl-6-oxo-5-[3-(prop-2-enoylamino)-4-(pyrrolidine-1-carbonyl)anilino]pyridin-3-yl]phenyl]benzamide
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| Structure |
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| Formula |
C38H41N5O4
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| Molecular Weight |
631.777
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| Canonical SMILES |
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc(Nc2ccc(C(=O)N3CCCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1
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| InChI |
InChI=1S/C38H41N5O4/c1-7-34(44)40-32-22-28(17-18-30(32)36(46)43-19-8-9-20-43)39-33-21-26(23-42(6)37(33)47)29-11-10-12-31(24(29)2)41-35(45)25-13-15-27(16-14-25)38(3,4)5/h7,10-18,21-23,39H,1,8-9,19-20H2,2-6H3,(H,40,44)(H,41,45)
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| InChIKey |
COWLFLKVBAZPQO-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