General Information of the Compound
| Compound ID |
CP0559446
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| Compound Name |
4-[5-[5-[(3-ethyl-1,2-benzoxazol-6-yl)oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
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| Structure |
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| Formula |
C21H27N5O4S
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| Molecular Weight |
445.545
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| Canonical SMILES |
CCc1noc2cc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc12
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| InChI |
InChI=1S/C21H27N5O4S/c1-2-19-18-7-6-17(15-20(18)30-24-19)29-13-5-3-4-10-25-11-12-26(31(25,27)28)16-8-9-23-21(22)14-16/h6-9,14-15H,2-5,10-13H2,1H3,(H2,22,23)
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| InChIKey |
BUQKLCVMWVGGAS-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