General Information of the Compound
| Compound ID |
CP0534731
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| Compound Name |
4-[[5-[3-[(4-tert-butylbenzoyl)amino]-2-methylphenyl]-1-methyl-2-oxopyridin-3-yl]amino]-N-cyclopropyl-2-(prop-2-enoylamino)benzamide
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| Structure |
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| Formula |
C37H39N5O4
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| Molecular Weight |
617.75
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| Canonical SMILES |
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc(Nc2ccc(C(=O)NC3CC3)c(NC(=O)C=C)c2)c(=O)n(C)c1
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| InChI |
InChI=1S/C37H39N5O4/c1-7-33(43)40-31-20-27(17-18-29(31)35(45)39-26-15-16-26)38-32-19-24(21-42(6)36(32)46)28-9-8-10-30(22(28)2)41-34(44)23-11-13-25(14-12-23)37(3,4)5/h7-14,17-21,26,38H,1,15-16H2,2-6H3,(H,39,45)(H,40,43)(H,41,44)
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| InChIKey |
NBEZJXKBRSEYHB-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