General Information of the Compound
| Compound ID |
CP0550045
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| Compound Name |
N-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-[(3R,4S)-2-oxo-3,4-diphenylazetidin-1-yl]piperidine-1-carboxamide
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| Structure |
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| Formula |
C29H30N4O4
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| Molecular Weight |
498.583
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| Canonical SMILES |
ONC(=O)c1ccc(CNC(=O)N2CCC(CC2)N2[C@@H]([C@H](C2=O)c2ccccc2)c2ccccc2)cc1
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| InChI |
InChI=1S/C29H30N4O4/c34-27(31-37)23-13-11-20(12-14-23)19-30-29(36)32-17-15-24(16-18-32)33-26(22-9-5-2-6-10-22)25(28(33)35)21-7-3-1-4-8-21/h1-14,24-26,37H,15-19H2,(H,30,36)(H,31,34)/t25-,26-/m1/s1
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| InChIKey |
XSEMMBSLRMCHPX-CLJLJLNGSA-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
Protein ID: PT01443, Polyamine deacetylase HDAC10