General Information of the Compound
| Compound ID |
CP0524326
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| Compound Name |
4-[(E)-3-[[2-[N,2-dimethyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide
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| Structure |
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| Formula |
C32H32N4O4
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| Molecular Weight |
536.632
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| Canonical SMILES |
CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2cccc(COc3cccc4ccc(C)nc34)c2C)cc1
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| InChI |
InChI=1S/C32H32N4O4/c1-21-11-15-24-7-6-10-28(31(24)35-21)40-20-26-8-5-9-27(22(26)2)36(4)30(38)19-34-29(37)18-14-23-12-16-25(17-13-23)32(39)33-3/h5-18H,19-20H2,1-4H3,(H,33,39)(H,34,37)/b18-14+
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| InChIKey |
AFNPYEOPZAKLQY-NBVRZTHBSA-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