General Information of the Compound
| Compound ID |
CP0393398
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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] 11-(hydroxyamino)-11-oxoundecanoate
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| Structure |
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| Formula |
C33H39N3O8
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| Molecular Weight |
605.688
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| Canonical SMILES |
CCc1c2Cn3c(cc4c(COC(=O)[C@@]4(CC)OC(=O)CCCCCCCCCC(=O)NO)c3=O)-c2nc2ccc(O)cc12
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| InChI |
InChI=1S/C33H39N3O8/c1-3-21-22-16-20(37)14-15-26(22)34-30-23(21)18-36-27(30)17-25-24(31(36)40)19-43-32(41)33(25,4-2)44-29(39)13-11-9-7-5-6-8-10-12-28(38)35-42/h14-17,37,42H,3-13,18-19H2,1-2H3,(H,35,38)/t33-/m0/s1
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| InChIKey |
SEXLEEQQVYCAEO-XIFFEERXSA-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