General Information of the Compound
| Compound ID |
CP0221541
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| Compound Name |
tert-butyl N-[(2S)-1-(cyclohexylamino)-1-oxo-7-sulfanylheptan-2-yl]carbamate
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| Structure |
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| Formula |
C18H34N2O3S
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| Molecular Weight |
358.548
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| Canonical SMILES |
CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCCC1
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| InChI |
InChI=1S/C18H34N2O3S/c1-18(2,3)23-17(22)20-15(12-8-5-9-13-24)16(21)19-14-10-6-4-7-11-14/h14-15,24H,4-13H2,1-3H3,(H,19,21)(H,20,22)/t15-/m0/s1
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| InChIKey |
NREURQUIJSGJMZ-HNNXBMFYSA-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
Protein ID: PT00991, Histone deacetylase 1
Protein ID: PT00994, Histone deacetylase 4
Protein ID: PT03064, Histone deacetylase 6