General Information of the Compound
| Compound ID |
CP0873398
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| Compound Name |
N-(4-Cyclohexyl-phenyl)-2-[4-(2-oxo-4H-benzo[d][1,3]oxazin-1-yl)-piperidin-1-yl]-acetamide
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| Structure |
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| Formula |
C27H34ClN3O3
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| Molecular Weight |
484.04
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| Canonical SMILES |
Cl.O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(C2CCCCC2)cc1
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| InChI |
InChI=1S/C27H33N3O3.ClH/c31-26(28-23-12-10-21(11-13-23)20-6-2-1-3-7-20)18-29-16-14-24(15-17-29)30-25-9-5-4-8-22(25)19-33-27(30)32;/h4-5,8-13,20,24H,1-3,6-7,14-19H2,(H,28,31);1H
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| InChIKey |
ZAYSAIWPLSOZRJ-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