General Information of the Compound
| Compound ID |
CP0422085
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| Compound Name |
methyl (2S)-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]-3-(4-thiophen-2-ylphenyl)propanoate
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| Structure |
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| Formula |
C23H30N2O5S
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| Molecular Weight |
446.569
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| Canonical SMILES |
COC(=O)[C@H](Cc1ccc(cc1)-c1cccs1)NC(=O)CCCCCCCC(=O)NO
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| InChI |
InChI=1S/C23H30N2O5S/c1-30-23(28)19(16-17-11-13-18(14-12-17)20-8-7-15-31-20)24-21(26)9-5-3-2-4-6-10-22(27)25-29/h7-8,11-15,19,29H,2-6,9-10,16H2,1H3,(H,24,26)(H,25,27)/t19-/m0/s1
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| InChIKey |
JHVTWDAEILLVIX-IBGZPJMESA-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: PT01213, Histone deacetylase 6