General Information of the Compound
| Compound ID |
CP0520377
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| Compound Name |
5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-[5-[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]pentyl]-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C25H23F3N6O3S2
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| Molecular Weight |
576.626
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| Canonical SMILES |
FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCCCCCNC(=O)c1nc(sc1C1CC1)-c1nccs1
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| InChI |
InChI=1S/C25H23F3N6O3S2/c26-25(27,28)24-33-19(34-37-24)15-5-4-6-16(13-15)20(35)29-9-2-1-3-10-30-21(36)17-18(14-7-8-14)39-23(32-17)22-31-11-12-38-22/h4-6,11-14H,1-3,7-10H2,(H,29,35)(H,30,36)
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| InChIKey |
UORHYZNTANQQFJ-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: PT00995, Histone deacetylase 3
Protein ID: PT00994, Histone deacetylase 4
Protein ID: PT01213, Histone deacetylase 6