General Information of the Compound
| Compound ID |
CP0405094
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| Compound Name |
[(19S)-10,19-diethyl-7-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-19-yl] 8-(hydroxyamino)-8-oxooctanoate
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| Structure |
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| Formula |
C30H33N3O8
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| Molecular Weight |
563.607
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| Canonical SMILES |
CCc1c2Cn3c(cc4c(COC(=O)[C@@]4(CC)OC(=O)CCCCCCC(=O)NO)c3=O)-c2nc2ccc(O)cc12
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| InChI |
InChI=1S/C30H33N3O8/c1-3-18-19-13-17(34)11-12-23(19)31-27-20(18)15-33-24(27)14-22-21(28(33)37)16-40-29(38)30(22,4-2)41-26(36)10-8-6-5-7-9-25(35)32-39/h11-14,34,39H,3-10,15-16H2,1-2H3,(H,32,35)/t30-/m0/s1
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| InChIKey |
RPSZPZFGQILPOD-PMERELPUSA-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