General Information of the Compound
| Compound ID |
CP0942100
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| Compound Name |
N-(2-{4-[(2,4-dioxa-1,3-thiazolidine-5-yl)methyl]phenoxy}-ethyl)-5-(1,2-dithiolan-3-yl)pentanamide
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| Structure |
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| Formula |
C20H26N2O4S3
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| Molecular Weight |
454.639
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| Canonical SMILES |
O=C(CCCCC1CCSS1)NCCOc1ccc(CC2SC(=O)NC2=O)cc1
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| InChI |
InChI=1S/C20H26N2O4S3/c23-18(4-2-1-3-16-9-12-27-29-16)21-10-11-26-15-7-5-14(6-8-15)13-17-19(24)22-20(25)28-17/h5-8,16-17H,1-4,9-13H2,(H,21,23)(H,22,24,25)
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| InChIKey |
VDWFJOXRKJFJMP-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