General Information of the Compound
| Compound ID |
CP0537135
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| Compound Name |
2-oxo-N-(4-phenylbutyl)-6-piperidin-1-yl-1,3-benzoxazole-3-carboxamide;hydrochloride
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| Structure |
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| Formula |
C23H28ClN3O3
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| Molecular Weight |
429.948
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| Canonical SMILES |
Cl.O=C(NCCCCc1ccccc1)n1c2ccc(cc2oc1=O)N1CCCCC1
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| InChI |
InChI=1S/C23H27N3O3.ClH/c27-22(24-14-6-5-11-18-9-3-1-4-10-18)26-20-13-12-19(17-21(20)29-23(26)28)25-15-7-2-8-16-25;/h1,3-4,9-10,12-13,17H,2,5-8,11,14-16H2,(H,24,27);1H
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| InChIKey |
XWGUEQLJYRJVFA-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