General Information of the Compound
| Compound ID |
CP0492066
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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]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
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| Structure |
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| Formula |
C36H35N5O7
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| Molecular Weight |
649.704
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| Canonical SMILES |
Cc1c(NC(=O)c2ccc3OCCOc3c2)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1
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| InChI |
InChI=1S/C36H35N5O7/c1-4-33(42)38-29-20-25(9-10-27(29)35(44)41-12-14-46-15-13-41)37-30-18-24(21-40(3)36(30)45)26-6-5-7-28(22(26)2)39-34(43)23-8-11-31-32(19-23)48-17-16-47-31/h4-11,18-21,37H,1,12-17H2,2-3H3,(H,38,42)(H,39,43)
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| InChIKey |
JELBXTYWPDPGFJ-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