General Information of the Compound
| Compound ID |
CP0218085
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| Compound Name |
2,2-dimethyl-3-phenyl-3-(1-pyridin-4-ylindazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
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| Structure |
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| Formula |
C25H22N6OS
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| Molecular Weight |
454.559
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| Canonical SMILES |
CC(C)(C(c1ccccc1)c1ccc2n(ncc2c1)-c1ccncc1)C(=O)Nc1nncs1
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| InChI |
InChI=1S/C25H22N6OS/c1-25(2,23(32)29-24-30-27-16-33-24)22(17-6-4-3-5-7-17)18-8-9-21-19(14-18)15-28-31(21)20-10-12-26-13-11-20/h3-16,22H,1-2H3,(H,29,30,32)
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| InChIKey |
RYWGQPKLQZKRJY-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