General Information of the Compound
| Compound ID |
CP0338929
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| Compound Name |
2,2-dimethyl-3-phenyl-3-[1-(2-phenylethyl)indazol-5-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide
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| Structure |
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| Formula |
C28H27N5OS
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| Molecular Weight |
481.625
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| Canonical SMILES |
CC(C)(C(c1ccccc1)c1ccc2n(CCc3ccccc3)ncc2c1)C(=O)Nc1nncs1
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| InChI |
InChI=1S/C28H27N5OS/c1-28(2,26(34)31-27-32-29-19-35-27)25(21-11-7-4-8-12-21)22-13-14-24-23(17-22)18-30-33(24)16-15-20-9-5-3-6-10-20/h3-14,17-19,25H,15-16H2,1-2H3,(H,31,32,34)
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| InChIKey |
OCMRCJPZHDSKAM-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