General Information of the Compound
| Compound ID |
CP0100807
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| Compound Name |
3-[1-(4-hydroxyphenyl)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 |
C26H23N5O2S
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| Molecular Weight |
469.57
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| Canonical SMILES |
CC(C)(C(c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(O)cc1)C(=O)Nc1nncs1
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| InChI |
InChI=1S/C26H23N5O2S/c1-26(2,24(33)29-25-30-27-16-34-25)23(17-6-4-3-5-7-17)18-8-13-22-19(14-18)15-28-31(22)20-9-11-21(32)12-10-20/h3-16,23,32H,1-2H3,(H,29,30,33)
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| InChIKey |
NAFXLUWFSJIQSI-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
Protein ID: PT00967, Glucocorticoid receptor