General Information of the Compound
| Compound ID |
CP0351324
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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-ethyl-3-methylbenzamide
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| Structure |
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| Formula |
C26H34N4O4
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| Molecular Weight |
466.582
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| Canonical SMILES |
CCNC(=O)c1ccc(N2CCN(Cc3cc4NC(=O)C(C)Oc4c(OCC)c3)CC2)c(C)c1
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| InChI |
InChI=1S/C26H34N4O4/c1-5-27-26(32)20-7-8-22(17(3)13-20)30-11-9-29(10-12-30)16-19-14-21-24(23(15-19)33-6-2)34-18(4)25(31)28-21/h7-8,13-15,18H,5-6,9-12,16H2,1-4H3,(H,27,32)(H,28,31)
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| InChIKey |
LRYGOSVXEZTIKJ-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