General Information of the Compound
| Compound ID |
CP0391056
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| Compound Name |
N-[2-(1-adamantylamino)-2-oxoethyl]-4-bromo-6-(1,1-dioxothiazinan-2-yl)-3-hydroxypyridine-2-carboxamide
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| Structure |
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| Formula |
C22H29BrN4O5S
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| Molecular Weight |
541.468
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| Canonical SMILES |
Oc1c(Br)cc(nc1C(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCCCS1(=O)=O
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| InChI |
InChI=1S/C22H29BrN4O5S/c23-16-8-17(27-3-1-2-4-33(27,31)32)25-19(20(16)29)21(30)24-12-18(28)26-22-9-13-5-14(10-22)7-15(6-13)11-22/h8,13-15,29H,1-7,9-12H2,(H,24,30)(H,26,28)
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| InChIKey |
QBDDCUKCEKLYLG-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