General Information of the Compound
| Compound ID |
CP0149360
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| Compound Name |
N-ethyl-4-[4-[(8-methoxy-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]-3-methylbenzamide
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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 |
CCNC(=O)c1ccc(N2CCN(Cc3cc4NC(=O)C(C)Oc4c(OC)c3)CC2)c(C)c1
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| InChI |
InChI=1S/C25H32N4O4/c1-5-26-25(31)19-6-7-21(16(2)12-19)29-10-8-28(9-11-29)15-18-13-20-23(22(14-18)32-4)33-17(3)24(30)27-20/h6-7,12-14,17H,5,8-11,15H2,1-4H3,(H,26,31)(H,27,30)
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| InChIKey |
KYBWYVRJCBHOGL-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