General Information of the Compound
| Compound ID |
CP0444708
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| Compound Name |
2-[3-[(E)-2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethenyl]-8-azabicyclo[3.2.1]octan-8-yl]-4-fluoro-1,3-benzothiazole-6-carboxylic acid
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| Formula |
C29H24Cl2FN3O3S
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| Molecular Weight |
584.5
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| Canonical SMILES |
OC(=O)c1cc(F)c2nc(sc2c1)N1C2CCC1CC(C2)\C=C\c1c(onc1-c1c(Cl)cccc1Cl)C1CC1
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| InChI |
InChI=1S/C29H24Cl2FN3O3S/c30-20-2-1-3-21(31)24(20)25-19(27(38-34-25)15-5-6-15)9-4-14-10-17-7-8-18(11-14)35(17)29-33-26-22(32)12-16(28(36)37)13-23(26)39-29/h1-4,9,12-15,17-18H,5-8,10-11H2,(H,36,37)/b9-4+
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| InChIKey |
BBXKIYFVFCVFFZ-RUDMXATFSA-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