General Information of the Compound
| Compound ID |
CP0182244
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| Compound Name |
2-[(1S)-5-(3-{2-methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]phenoxy}propoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid
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| Structure |
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| Formula |
C24H23F3N2O4S
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| Molecular Weight |
492.519
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| Canonical SMILES |
Cc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(ns1)C(F)(F)F
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| InChI |
InChI=1S/C24H23F3N2O4S/c1-14-11-17(22-28-23(29-34-22)24(25,26)27)5-8-20(14)33-10-2-9-32-18-6-7-19-15(12-18)3-4-16(19)13-21(30)31/h5-8,11-12,16H,2-4,9-10,13H2,1H3,(H,30,31)/t16-/m0/s1
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| InChIKey |
BRUFULPAONKCPM-INIZCTEOSA-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