General Information of the Compound
| Compound ID |
CP0525096
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| Compound Name |
tert-butyl 6-[2-(2-adamantylamino)-2-oxoethyl]-1,1-dioxo-1,2,6-thiadiazinane-2-carboxylate
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| Structure |
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| Formula |
C20H33N3O5S
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| Molecular Weight |
427.567
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCCN(CC(=O)NC2C3CC4CC(C3)CC2C4)S1(=O)=O
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| InChI |
InChI=1S/C20H33N3O5S/c1-20(2,3)28-19(25)23-6-4-5-22(29(23,26)27)12-17(24)21-18-15-8-13-7-14(10-15)11-16(18)9-13/h13-16,18H,4-12H2,1-3H3,(H,21,24)
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| InChIKey |
ZNXQLJCFXDOQIJ-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