General Information of the Compound
| Compound ID |
CP0213089
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| Compound Name |
4-[(5S)-5-[2-methyl-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzoic acid
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| Structure |
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| Formula |
C25H20N4O4S
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| Molecular Weight |
472.526
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| Canonical SMILES |
CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(cc1)C(O)=O)C(=O)Nc1nncs1
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| InChI |
InChI=1S/C25H20N4O4S/c1-25(2,23(32)28-24-29-26-13-34-24)20-16-5-3-4-6-19(16)33-21-17(20)11-12-18(27-21)14-7-9-15(10-8-14)22(30)31/h3-13,20H,1-2H3,(H,30,31)(H,28,29,32)/t20-/m0/s1
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| InChIKey |
WTOAAUGTOXEPOY-FQEVSTJZSA-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