General Information of the Compound
| Compound ID |
CP0154191
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| Compound Name |
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
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| Structure |
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| Formula |
C27H24FN5OS
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| Molecular Weight |
485.588
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| Canonical SMILES |
Cc1nnc(NC(=O)C(C)(C)C(c2ccccc2)c2ccc3n(ncc3c2)-c2ccc(F)cc2)s1
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| InChI |
InChI=1S/C27H24FN5OS/c1-17-31-32-26(35-17)30-25(34)27(2,3)24(18-7-5-4-6-8-18)19-9-14-23-20(15-19)16-29-33(23)22-12-10-21(28)11-13-22/h4-16,24H,1-3H3,(H,30,32,34)
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| InChIKey |
ZEVKSTGBOPMYLM-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