General Information of the Compound
| Compound ID |
CP0494355
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| Compound Name |
1-[1-(4-Benzyloxy-2-methoxy-benzoyl)-piperidin-4-yl]-1,4-dihydro-benzo[d][1,3]oxazin-2-one
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| Structure |
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| Formula |
C28H28N2O5
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| Molecular Weight |
472.541
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| Canonical SMILES |
COc1cc(OCc2ccccc2)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
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| InChI |
InChI=1S/C28H28N2O5/c1-33-26-17-23(34-18-20-7-3-2-4-8-20)11-12-24(26)27(31)29-15-13-22(14-16-29)30-25-10-6-5-9-21(25)19-35-28(30)32/h2-12,17,22H,13-16,18-19H2,1H3
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| InChIKey |
BOJYCDRNXGUATP-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