General Information of the Compound
| Compound ID |
CP0318680
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| Compound Name |
4-[4-[[(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]oxymethyl]triazol-1-yl]-N-hydroxybutanamide
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| Structure |
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| Formula |
C29H30N6O7
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| Molecular Weight |
574.594
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| Canonical SMILES |
CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OCc3cn(CCCC(=O)NO)nn3)cc12
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| InChI |
InChI=1S/C29H30N6O7/c1-3-18-19-10-17(41-14-16-12-34(33-31-16)9-5-6-25(36)32-40)7-8-23(19)30-26-20(18)13-35-24(26)11-22-21(27(35)37)15-42-28(38)29(22,39)4-2/h7-8,10-12,39-40H,3-6,9,13-15H2,1-2H3,(H,32,36)/t29-/m0/s1
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| InChIKey |
LFZRXHVDLOKSCL-LJAQVGFWSA-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: PT01213, Histone deacetylase 6
Protein ID: PT01499, Histone deacetylase 8