General Information of the Compound
| Compound ID |
CP0569332
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| Compound Name |
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1,1-dioxothiane-4-carboxamide
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| Structure |
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| Formula |
C31H37N5O5S
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| Molecular Weight |
591.734
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| Canonical SMILES |
O=C(C1CCS(=O)(=O)CC1)N(CC12CCC(CC1)(CC2)c1nc(no1)C1CC1)c1cccc(c1)-c1nc(no1)C1CC1
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| InChI |
InChI=1S/C31H37N5O5S/c37-28(22-8-16-42(38,39)17-9-22)36(24-3-1-2-23(18-24)27-32-25(34-40-27)20-4-5-20)19-30-10-13-31(14-11-30,15-12-30)29-33-26(35-41-29)21-6-7-21/h1-3,18,20-22H,4-17,19H2
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| InChIKey |
ARAGAGXUWLVCPT-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