General Information of the Compound
| Compound ID |
CP0127969
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| Compound Name |
1-(1-{2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl}piperidin-4-yl)pyrrolidin-2-one
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| Structure |
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| Formula |
C24H27N3O3S
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| Molecular Weight |
437.565
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| Canonical SMILES |
O=C1CCCN1C1CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1
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| InChI |
InChI=1S/C24H27N3O3S/c28-23-6-3-13-27(23)18-11-14-26(15-12-18)16-17-29-19-7-9-20(10-8-19)30-24-25-21-4-1-2-5-22(21)31-24/h1-2,4-5,7-10,18H,3,6,11-17H2
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| InChIKey |
OAUXHFPOFOZZLZ-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