General Information of the Compound
| Compound ID |
CP0576362
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| Compound Name |
4-[4-[cyclohexyl(2-methylpropyl)amino]-3-[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]phenyl]-2,5-dimethylfuran-3-carboxylic acid
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| Structure |
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| Formula |
C31H36N4O3S
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| Molecular Weight |
544.721
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| Canonical SMILES |
CC(C)CN(C1CCCCC1)c1ccc(cc1Nc1nc(ns1)-c1ccccc1)-c1c(C)oc(C)c1C(O)=O
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| InChI |
InChI=1S/C31H36N4O3S/c1-19(2)18-35(24-13-9-6-10-14-24)26-16-15-23(27-20(3)38-21(4)28(27)30(36)37)17-25(26)32-31-33-29(34-39-31)22-11-7-5-8-12-22/h5,7-8,11-12,15-17,19,24H,6,9-10,13-14,18H2,1-4H3,(H,36,37)(H,32,33,34)
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| InChIKey |
WUZVSONWZBSINL-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