General Information of the Compound
| Compound ID |
CP0454932
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| Compound Name |
tert-butyl N-[(1S)-1-(adamantan-1-ylcarbamoyl)-6-sulfanylhexyl]carbamate
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| Structure |
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| Formula |
C22H38N2O3S
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| Molecular Weight |
410.624
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| Canonical SMILES |
CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C22H38N2O3S/c1-21(2,3)27-20(26)23-18(7-5-4-6-8-28)19(25)24-22-12-15-9-16(13-22)11-17(10-15)14-22/h15-18,28H,4-14H2,1-3H3,(H,23,26)(H,24,25)/t15?,16?,17?,18-,22?/m0/s1
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| InChIKey |
NKBMBTJJIYPODH-XDHFQJGLSA-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