General Information of the Compound
| Compound ID |
CP0432407
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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-[10-(hydroxyamino)-10-oxodecanoyl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C37H45N5O9
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| Molecular Weight |
703.793
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| Canonical SMILES |
CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCN(CC3)C(=O)CCCCCCCCC(=O)NO)cc12
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| InChI |
InChI=1S/C37H45N5O9/c1-3-24-25-19-23(51-36(47)41-17-15-40(16-18-41)32(44)12-10-8-6-5-7-9-11-31(43)39-49)13-14-29(25)38-33-26(24)21-42-30(33)20-28-27(34(42)45)22-50-35(46)37(28,48)4-2/h13-14,19-20,48-49H,3-12,15-18,21-22H2,1-2H3,(H,39,43)/t37-/m0/s1
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| InChIKey |
DXLAFUMFMFMSLO-QNGWXLTQSA-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