General Information of the Compound
| Compound ID |
CP0528464
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| Compound Name |
methyl (2S)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-[4-(4-phenylphenyl)phenyl]propanoate
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| Structure |
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| Formula |
C30H34N2O5
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| Molecular Weight |
502.611
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| Canonical SMILES |
COC(=O)[C@H](Cc1ccc(cc1)-c1ccc(cc1)-c1ccccc1)NC(=O)CCCCCCC(=O)NO
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| InChI |
InChI=1S/C30H34N2O5/c1-37-30(35)27(31-28(33)11-7-2-3-8-12-29(34)32-36)21-22-13-15-24(16-14-22)26-19-17-25(18-20-26)23-9-5-4-6-10-23/h4-6,9-10,13-20,27,36H,2-3,7-8,11-12,21H2,1H3,(H,31,33)(H,32,34)/t27-/m0/s1
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| InChIKey |
AZWQKXURQJBBDV-MHZLTWQESA-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