General Information of the Compound
| Compound ID |
CP0085171
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| Compound Name |
3-[1-(2-hydroxyethyl)indazol-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 |
C22H23N5O2S
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| Molecular Weight |
421.526
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| Canonical SMILES |
CC(C)(C(c1ccccc1)c1ccc2n(CCO)ncc2c1)C(=O)Nc1nncs1
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| InChI |
InChI=1S/C22H23N5O2S/c1-22(2,20(29)25-21-26-23-14-30-21)19(15-6-4-3-5-7-15)16-8-9-18-17(12-16)13-24-27(18)10-11-28/h3-9,12-14,19,28H,10-11H2,1-2H3,(H,25,26,29)
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| InChIKey |
YSHQSLYXKDEJNB-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