General Information of the Compound
| Compound ID |
CP0254570
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| Compound Name |
2-[(4-fluorophenyl)methyl-[8-(hydroxyamino)-8-oxooctyl]amino]-N-(3-imidazol-1-ylpropyl)-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C25H33FN6O3S
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| Molecular Weight |
516.643
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| Canonical SMILES |
ONC(=O)CCCCCCCN(Cc1ccc(F)cc1)c1ncc(s1)C(=O)NCCCn1ccnc1
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| InChI |
InChI=1S/C25H33FN6O3S/c26-21-10-8-20(9-11-21)18-32(15-5-3-1-2-4-7-23(33)30-35)25-29-17-22(36-25)24(34)28-12-6-14-31-16-13-27-19-31/h8-11,13,16-17,19,35H,1-7,12,14-15,18H2,(H,28,34)(H,30,33)
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| InChIKey |
FVLQFSUNDROJBC-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