General Information of the Compound
| Compound ID |
CP0550695
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| Compound Name |
6-[1-(2-methylpropyl)piperidin-4-yl]-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
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| Structure |
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| Formula |
C27H35N3O3
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| Molecular Weight |
449.595
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| Canonical SMILES |
CC(C)CN1CCC(CC1)c1ccc2n(C(=O)NCCCCc3ccccc3)c(=O)oc2c1
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| InChI |
InChI=1S/C27H35N3O3/c1-20(2)19-29-16-13-22(14-17-29)23-11-12-24-25(18-23)33-27(32)30(24)26(31)28-15-7-6-10-21-8-4-3-5-9-21/h3-5,8-9,11-12,18,20,22H,6-7,10,13-17,19H2,1-2H3,(H,28,31)
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| InChIKey |
YXVGJXUSEAJMKU-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