General Information of the Compound
| Compound ID |
CP0571533
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| Compound Name |
2-[2-[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-4-fluoro-1,3-benzothiazole-6-carboxylic acid
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| Structure |
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| Formula |
C29H23F4N3O4S
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| Molecular Weight |
585.579
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| Canonical SMILES |
OC(=O)c1cc(F)c2nc(sc2c1)N1CCC2(CC(=C2)c2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)CC1
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| InChI |
InChI=1S/C29H23F4N3O4S/c30-19-11-16(26(37)38)12-21-24(19)34-27(41-21)36-9-7-28(8-10-36)13-17(14-28)22-23(35-40-25(22)15-5-6-15)18-3-1-2-4-20(18)39-29(31,32)33/h1-4,11-13,15H,5-10,14H2,(H,37,38)
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| InChIKey |
AHBXJXIQDITTRI-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