General Information of the Compound
| Compound ID |
CP0001056
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| Compound Name |
N-hydroxy-7-[3-[4-[[(7-hydroxy-21-methyl-14-oxo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,15(20),16,18-heptaen-17-yl)amino]methyl]phenyl]-1,2,4-oxadiazol-5-yl]heptanamide
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| Structure |
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| Formula |
C35H37N7O5
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| Molecular Weight |
635.725
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| Canonical SMILES |
CN1C2N(CCc3c2[nH]c2ccc(O)cc32)C(=O)c2cc(NCc3ccc(cc3)-c3noc(CCCCCCC(=O)NO)n3)ccc12
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| InChI |
InChI=1S/C35H37N7O5/c1-41-29-15-12-23(18-27(29)35(45)42-17-16-25-26-19-24(43)13-14-28(26)37-32(25)34(41)42)36-20-21-8-10-22(11-9-21)33-38-31(47-40-33)7-5-3-2-4-6-30(44)39-46/h8-15,18-19,34,36-37,43,46H,2-7,16-17,20H2,1H3,(H,39,44)
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| InChIKey |
FTVNKVXRXIRGTC-UHFFFAOYSA-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: PT00835, Histone deacetylase 2
Protein ID: PT01213, Histone deacetylase 6
Protein ID: PT01499, Histone deacetylase 8
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000111 | MDA-MB-231 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 2300 nM
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