General Information of the Compound
| Compound ID |
CP0055330
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| Compound Name |
3-[1-(3-chloro-4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
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| Structure |
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| Formula |
C26H21ClFN5OS
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| Molecular Weight |
506.006
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| Canonical SMILES |
CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1ccc(F)c(Cl)c1)C(=O)Nc1nncs1
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| InChI |
InChI=1S/C26H21ClFN5OS/c1-26(2,24(34)31-25-32-30-15-35-25)22(16-6-4-3-5-7-16)18-9-11-21-23(29-14-33(21)13-18)17-8-10-20(28)19(27)12-17/h3-15,22H,1-2H3,(H,31,32,34)
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| InChIKey |
MLFLJTCNQJZMTR-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