General Information of the Compound
| Compound ID |
CP0405293
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| Compound Name |
1-{1-[2-Methoxy-4-(1-phenyl-ethoxy)-benzoyl]-piperidin-4-yl}-1,4-dihydro-benzo[d][1,3]oxazin-2-one
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| Structure |
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| Formula |
C29H30N2O5
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| Molecular Weight |
486.568
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| Canonical SMILES |
COc1cc(OC(C)c2ccccc2)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
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| InChI |
InChI=1S/C29H30N2O5/c1-20(21-8-4-3-5-9-21)36-24-12-13-25(27(18-24)34-2)28(32)30-16-14-23(15-17-30)31-26-11-7-6-10-22(26)19-35-29(31)33/h3-13,18,20,23H,14-17,19H2,1-2H3
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| InChIKey |
SEQLKNFXPQACMA-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