General Information of the Compound
| Compound ID |
CP0546754
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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]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
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| Structure |
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| Formula |
C38H39N5O5
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| Molecular Weight |
645.76
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| Canonical SMILES |
Cc1c(NC(=O)c2ccc3CCCCc3c2)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1
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| InChI |
InChI=1S/C38H39N5O5/c1-4-35(44)40-33-22-29(14-15-31(33)37(46)43-16-18-48-19-17-43)39-34-21-28(23-42(3)38(34)47)30-10-7-11-32(24(30)2)41-36(45)27-13-12-25-8-5-6-9-26(25)20-27/h4,7,10-15,20-23,39H,1,5-6,8-9,16-19H2,2-3H3,(H,40,44)(H,41,45)
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| InChIKey |
LZRJXKLOENKORZ-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