General Information of the Compound
| Compound ID |
CP0432404
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| Compound Name |
[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-[12-(hydroxyamino)-12-oxododecanoyl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C39H49N5O9
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| Molecular Weight |
731.847
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| Canonical SMILES |
CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCN(CC3)C(=O)CCCCCCCCCCC(=O)NO)cc12
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| InChI |
InChI=1S/C39H49N5O9/c1-3-26-27-21-25(53-38(49)43-19-17-42(18-20-43)34(46)14-12-10-8-6-5-7-9-11-13-33(45)41-51)15-16-31(27)40-35-28(26)23-44-32(35)22-30-29(36(44)47)24-52-37(48)39(30,50)4-2/h15-16,21-22,50-51H,3-14,17-20,23-24H2,1-2H3,(H,41,45)/t39-/m0/s1
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| InChIKey |
PATZESAYVOMUCF-KDXMTYKHSA-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: PT00995, Histone deacetylase 3
Protein ID: PT01213, Histone deacetylase 6