General Information of the Compound
| Compound ID |
CP0532438
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| Compound Name |
1'-{2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl}-6-methyl-1,2-dihydrospiro[3,1-benzoxazine-4,4'-piperidine]-2-one
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| Structure |
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| Formula |
C24H24FN3O3
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| Molecular Weight |
421.472
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| Canonical SMILES |
Cc1ccc2NC(=O)OC3(CCN(CCc4coc(n4)-c4ccc(F)cc4)CC3)c2c1
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| InChI |
InChI=1S/C24H24FN3O3/c1-16-2-7-21-20(14-16)24(31-23(29)27-21)9-12-28(13-10-24)11-8-19-15-30-22(26-19)17-3-5-18(25)6-4-17/h2-7,14-15H,8-13H2,1H3,(H,27,29)
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| InChIKey |
XWJDHZVOOKZGCS-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