General Information of the Compound
| Compound ID |
CP0550696
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| Compound Name |
2-oxo-N-(4-phenylbutyl)-6-piperidin-4-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)C1CCNCC1
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| InChI |
InChI=1S/C23H27N3O3.ClH/c27-22(25-13-5-4-8-17-6-2-1-3-7-17)26-20-10-9-19(16-21(20)29-23(26)28)18-11-14-24-15-12-18;/h1-3,6-7,9-10,16,18,24H,4-5,8,11-15H2,(H,25,27);1H
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| InChIKey |
BQXWRDSIQUMAKU-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