General Information of the Compound
| Compound ID |
CP0106411
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| Compound Name |
2-(1-(4-chloro-3-ethoxybenzyl)piperidin-4-ylamino)benzo[d]oxazole-6-carboxylic acid
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| Structure |
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| Formula |
C22H24ClN3O4
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| Molecular Weight |
429.904
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| Canonical SMILES |
CCOc1cc(CN2CCC(CC2)Nc2nc3ccc(cc3o2)C(O)=O)ccc1Cl
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| InChI |
InChI=1S/C22H24ClN3O4/c1-2-29-19-11-14(3-5-17(19)23)13-26-9-7-16(8-10-26)24-22-25-18-6-4-15(21(27)28)12-20(18)30-22/h3-6,11-12,16H,2,7-10,13H2,1H3,(H,24,25)(H,27,28)
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| InChIKey |
MUGBUVZHEILUBD-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01196, Somatostatin receptor type 5