General Information of the Compound
| Compound ID |
CP0404625
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| Compound Name |
1-[1-(4-Benzhydryloxy-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 |
C34H32N2O5
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| Molecular Weight |
548.639
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| Canonical SMILES |
COc1cc(OC(c2ccccc2)c2ccccc2)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
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| InChI |
InChI=1S/C34H32N2O5/c1-39-31-22-28(41-32(24-10-4-2-5-11-24)25-12-6-3-7-13-25)16-17-29(31)33(37)35-20-18-27(19-21-35)36-30-15-9-8-14-26(30)23-40-34(36)38/h2-17,22,27,32H,18-21,23H2,1H3
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| InChIKey |
IGDLXBCMFSBIRQ-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