General Information of the Compound
| Compound ID |
CP0573437
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| Compound Name |
2-[(4-fluorophenyl)methyl-[[4-(hydroxycarbamoyl)phenyl]methyl]amino]-N-(3-imidazol-1-ylpropyl)-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C25H25FN6O3S
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| Molecular Weight |
508.579
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| Canonical SMILES |
ONC(=O)c1ccc(CN(Cc2ccc(F)cc2)c2ncc(s2)C(=O)NCCCn2ccnc2)cc1
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| InChI |
InChI=1S/C25H25FN6O3S/c26-21-8-4-19(5-9-21)16-32(15-18-2-6-20(7-3-18)23(33)30-35)25-29-14-22(36-25)24(34)28-10-1-12-31-13-11-27-17-31/h2-9,11,13-14,17,35H,1,10,12,15-16H2,(H,28,34)(H,30,33)
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| InChIKey |
ROEPGCSNAWAJRM-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