General Information of the Compound
| Compound ID |
CP0314580
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| Compound Name |
N,N-dimethyl-4-[9-[2-methyl-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)propan-2-yl]-9H-xanthen-3-yl]benzamide
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| Structure |
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| Formula |
C28H26N4O3S
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| Molecular Weight |
498.608
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| Canonical SMILES |
CN(C)C(=O)c1ccc(cc1)-c1ccc2C(c3ccccc3Oc2c1)C(C)(C)C(=O)Nc1nncs1
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| InChI |
InChI=1S/C28H26N4O3S/c1-28(2,26(34)30-27-31-29-16-36-27)24-20-7-5-6-8-22(20)35-23-15-19(13-14-21(23)24)17-9-11-18(12-10-17)25(33)32(3)4/h5-16,24H,1-4H3,(H,30,31,34)
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| InChIKey |
ORVRISQWQZXOFB-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
Cell-based Assay