General Information of the Compound
| Compound ID |
CP0429964
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| Compound Name |
1-(1-{4-[1-(1-Acetyl-piperidin-4-yl)-ethoxy]-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 |
C30H37N3O6
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| Molecular Weight |
535.641
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| Canonical SMILES |
COc1cc(OC(C)C2CCN(CC2)C(C)=O)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
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| InChI |
InChI=1S/C30H37N3O6/c1-20(22-10-14-31(15-11-22)21(2)34)39-25-8-9-26(28(18-25)37-3)29(35)32-16-12-24(13-17-32)33-27-7-5-4-6-23(27)19-38-30(33)36/h4-9,18,20,22,24H,10-17,19H2,1-3H3
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| InChIKey |
UZDNXCMOPAZSAM-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