General Information of the Compound
| Compound ID |
CP0574797
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| Compound Name |
N-[4-(hydroxycarbamoyl)phenyl]-4-[(3R,4S)-2-oxo-3,4-diphenylazetidin-1-yl]piperidine-1-carboxamide
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| Structure |
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| Formula |
C28H28N4O4
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| Molecular Weight |
484.556
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| Canonical SMILES |
ONC(=O)c1ccc(NC(=O)N2CCC(CC2)N2[C@@H]([C@H](C2=O)c2ccccc2)c2ccccc2)cc1
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| InChI |
InChI=1S/C28H28N4O4/c33-26(30-36)21-11-13-22(14-12-21)29-28(35)31-17-15-23(16-18-31)32-25(20-9-5-2-6-10-20)24(27(32)34)19-7-3-1-4-8-19/h1-14,23-25,36H,15-18H2,(H,29,35)(H,30,33)/t24-,25-/m1/s1
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| InChIKey |
JAYDPVLRDOPLGY-JWQCQUIFSA-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