General Information of the Compound
| Compound ID |
CP0478859
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| Compound Name |
N-(1,1-dioxothian-4-yl)-4-[3-(1-methylbenzimidazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
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| Structure |
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| Formula |
C21H26N6O4S
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| Molecular Weight |
458.544
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| Canonical SMILES |
Cn1c(nc2ccccc12)-c1noc(n1)C1CCN(CC1)C(=O)NC1CCS(=O)(=O)CC1
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| InChI |
InChI=1S/C21H26N6O4S/c1-26-17-5-3-2-4-16(17)23-19(26)18-24-20(31-25-18)14-6-10-27(11-7-14)21(28)22-15-8-12-32(29,30)13-9-15/h2-5,14-15H,6-13H2,1H3,(H,22,28)
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| InChIKey |
RNGVNDDVEJCTNU-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