General Information of the Compound
| Compound ID |
CP0338930
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| Compound Name |
3-(1-benzylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
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| Structure |
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| Formula |
C27H25N5OS
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| Molecular Weight |
467.598
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| Canonical SMILES |
CC(C)(C(c1ccccc1)c1ccc2n(Cc3ccccc3)ncc2c1)C(=O)Nc1nncs1
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| InChI |
InChI=1S/C27H25N5OS/c1-27(2,25(33)30-26-31-28-18-34-26)24(20-11-7-4-8-12-20)21-13-14-23-22(15-21)16-29-32(23)17-19-9-5-3-6-10-19/h3-16,18,24H,17H2,1-2H3,(H,30,31,33)
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| InChIKey |
JJJXMWVSBHMOBI-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