General Information of the Compound
| Compound ID |
CP0507088
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| Compound Name |
3-methoxy-N-[2-methyl-3-[1-methyl-5-[4-(morpholine-4-carbonyl)-3-(prop-2-enoylamino)anilino]-6-oxopyridin-3-yl]phenyl]benzamide
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| Structure |
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| Formula |
C35H35N5O6
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| Molecular Weight |
621.694
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| Canonical SMILES |
COc1cccc(c1)C(=O)Nc1cccc(c1C)-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1
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| InChI |
InChI=1S/C35H35N5O6/c1-5-32(41)37-30-20-25(12-13-28(30)34(43)40-14-16-46-17-15-40)36-31-19-24(21-39(3)35(31)44)27-10-7-11-29(22(27)2)38-33(42)23-8-6-9-26(18-23)45-4/h5-13,18-21,36H,1,14-17H2,2-4H3,(H,37,41)(H,38,42)
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| InChIKey |
SCYYONMILQDCAM-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