General Information of the Compound
| Compound ID |
CP0414120
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| Compound Name |
4-tert-butyl-N-[3-[5-[4-(3-hydroxypiperidine-1-carbonyl)-3-(prop-2-enoylamino)anilino]-1-methyl-6-oxopyridin-3-yl]-2-methylphenyl]benzamide
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| Structure |
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| Formula |
C39H43N5O5
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| Molecular Weight |
661.803
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| Canonical SMILES |
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc(Nc2ccc(C(=O)N3CCCC(O)C3)c(NC(=O)C=C)c2)c(=O)n(C)c1
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| InChI |
InChI=1S/C39H43N5O5/c1-7-35(46)41-33-21-28(17-18-31(33)37(48)44-19-9-10-29(45)23-44)40-34-20-26(22-43(6)38(34)49)30-11-8-12-32(24(30)2)42-36(47)25-13-15-27(16-14-25)39(3,4)5/h7-8,11-18,20-22,29,40,45H,1,9-10,19,23H2,2-6H3,(H,41,46)(H,42,47)
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| InChIKey |
XDZPXUKTXRNMGM-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