General Information of the Compound
Compound ID |
CP0569486
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Compound Name |
2-[6-[(E)-2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethenyl]-3-azabicyclo[3.1.0]hexan-3-yl]-4-fluoro-1,3-benzothiazole-6-carboxylic acid
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Structure |
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Formula |
C27H20Cl2FN3O3S
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Molecular Weight |
556.446
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Canonical SMILES |
OC(=O)c1cc(F)c2nc(sc2c1)N1CC2C(C1)C2\C=C\c1c(onc1-c1c(Cl)cccc1Cl)C1CC1
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InChI |
InChI=1S/C27H20Cl2FN3O3S/c28-18-2-1-3-19(29)22(18)23-15(25(36-32-23)12-4-5-12)7-6-14-16-10-33(11-17(14)16)27-31-24-20(30)8-13(26(34)35)9-21(24)37-27/h1-3,6-9,12,14,16-17H,4-5,10-11H2,(H,34,35)/b7-6+
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InChIKey |
PSVYKLYOBSFTMT-VOTSOKGWSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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