General Information of the Compound
| Compound ID |
CP0546752
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| Compound Name |
4-[[5-[3-[[4-(dimethylamino)benzoyl]amino]-2-methylphenyl]-1-methyl-2-oxopyridin-3-yl]amino]-N,N-bis(2-ethoxyethyl)-2-(prop-2-enoylamino)benzamide
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| Structure |
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| Formula |
C40H48N6O6
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| Molecular Weight |
708.86
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| Canonical SMILES |
CCOCCN(CCOCC)C(=O)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(NC(=O)c3ccc(cc3)N(C)C)c2C)cc1NC(=O)C=C
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| InChI |
InChI=1S/C40H48N6O6/c1-8-37(47)42-35-25-30(16-19-33(35)39(49)46(20-22-51-9-2)21-23-52-10-3)41-36-24-29(26-45(7)40(36)50)32-12-11-13-34(27(32)4)43-38(48)28-14-17-31(18-15-28)44(5)6/h8,11-19,24-26,41H,1,9-10,20-23H2,2-7H3,(H,42,47)(H,43,48)
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| InChIKey |
NVWSYOXMOHLSLX-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