General Information of the Compound
| Compound ID |
CP0087307
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| Compound Name |
4-[4-[(8-ethoxy-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]-N,3-dimethylbenzamide
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| Structure |
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| Formula |
C25H32N4O4
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| Molecular Weight |
452.555
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| Canonical SMILES |
CCOc1cc(CN2CCN(CC2)c2ccc(cc2C)C(=O)NC)cc2NC(=O)C(C)Oc12
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| InChI |
InChI=1S/C25H32N4O4/c1-5-32-22-14-18(13-20-23(22)33-17(3)24(30)27-20)15-28-8-10-29(11-9-28)21-7-6-19(12-16(21)2)25(31)26-4/h6-7,12-14,17H,5,8-11,15H2,1-4H3,(H,26,31)(H,27,30)
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| InChIKey |
JSXWZGIORINZQT-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