General Information of the Compound
| Compound ID |
CP0432403
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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-[9-(hydroxyamino)-9-oxononanoyl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C36H43N5O9
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| Molecular Weight |
689.766
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| Canonical SMILES |
CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCN(CC3)C(=O)CCCCCCCC(=O)NO)cc12
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| InChI |
InChI=1S/C36H43N5O9/c1-3-23-24-18-22(50-35(46)40-16-14-39(15-17-40)31(43)11-9-7-5-6-8-10-30(42)38-48)12-13-28(24)37-32-25(23)20-41-29(32)19-27-26(33(41)44)21-49-34(45)36(27,47)4-2/h12-13,18-19,47-48H,3-11,14-17,20-21H2,1-2H3,(H,38,42)/t36-/m0/s1
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| InChIKey |
ATTQICGHSWYSLG-BHVANESWSA-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