General Information of the Compound
| Compound ID |
CP0176398
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| Compound Name |
3-chloro-4-[4-[(2,8-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]-N-methylbenzamide
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| Structure |
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| Formula |
C23H27ClN4O3
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| Molecular Weight |
442.947
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| Canonical SMILES |
CNC(=O)c1ccc(N2CCN(Cc3cc(C)c4OC(C)C(=O)Nc4c3)CC2)c(Cl)c1
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| InChI |
InChI=1S/C23H27ClN4O3/c1-14-10-16(11-19-21(14)31-15(2)22(29)26-19)13-27-6-8-28(9-7-27)20-5-4-17(12-18(20)24)23(30)25-3/h4-5,10-12,15H,6-9,13H2,1-3H3,(H,25,30)(H,26,29)
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| InChIKey |
VGVJZUWQVBBTHR-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