General Information of the Compound
| Compound ID |
CP0568396
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| Compound Name |
2-[4-[(E)-2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethenyl]piperidin-1-yl]-4-fluoro-1,3-benzothiazole-6-carboxylic acid
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| Structure |
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| Formula |
C27H22Cl2FN3O3S
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| Molecular Weight |
558.462
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| Canonical SMILES |
OC(=O)c1cc(F)c2nc(sc2c1)N1CCC(CC1)\C=C\c1c(onc1-c1c(Cl)cccc1Cl)C1CC1
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| InChI |
InChI=1S/C27H22Cl2FN3O3S/c28-18-2-1-3-19(29)22(18)23-17(25(36-32-23)15-5-6-15)7-4-14-8-10-33(11-9-14)27-31-24-20(30)12-16(26(34)35)13-21(24)37-27/h1-4,7,12-15H,5-6,8-11H2,(H,34,35)/b7-4+
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| InChIKey |
YCLAFZBSFWLXSD-QPJJXVBHSA-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