General Information of the Compound
| Compound ID |
CP0487205
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| Compound Name |
N-(2-adamantyl)-2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)acetamide
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| Structure |
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| Formula |
C22H31N3O3S
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| Molecular Weight |
417.575
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| Canonical SMILES |
O=C(CN1CCCN(Cc2ccccc2)S1(=O)=O)NC1C2CC3CC(C2)CC1C3
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| InChI |
InChI=1S/C22H31N3O3S/c26-21(23-22-19-10-17-9-18(12-19)13-20(22)11-17)15-25-8-4-7-24(29(25,27)28)14-16-5-2-1-3-6-16/h1-3,5-6,17-20,22H,4,7-15H2,(H,23,26)
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| InChIKey |
BGJHQUREHGHRIG-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