General Information of the Compound
| Compound ID |
CP0409624
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| Compound Name |
1-{1-[2-Methoxy-4-(1-piperidin-4-yl-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 |
C28H35N3O5
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| Molecular Weight |
493.604
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| Canonical SMILES |
COc1cc(OC(C)C2CCNCC2)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
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| InChI |
InChI=1S/C28H35N3O5/c1-19(20-9-13-29-14-10-20)36-23-7-8-24(26(17-23)34-2)27(32)30-15-11-22(12-16-30)31-25-6-4-3-5-21(25)18-35-28(31)33/h3-8,17,19-20,22,29H,9-16,18H2,1-2H3
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| InChIKey |
KQIHKLDDJJWHFE-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