General Information of the Compound
| Compound ID |
CP0456493
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| Compound Name |
2-[4-chloro-2-[2-[4-(morpholine-4-carbonyl)-3-propan-2-ylsulfonylphenyl]ethynyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C24H24ClNO7S
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| Molecular Weight |
505.976
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| Canonical SMILES |
CC(C)S(=O)(=O)c1cc(ccc1C(=O)N1CCOCC1)C#Cc1cc(Cl)ccc1OCC(O)=O
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| InChI |
InChI=1S/C24H24ClNO7S/c1-16(2)34(30,31)22-13-17(4-7-20(22)24(29)26-9-11-32-12-10-26)3-5-18-14-19(25)6-8-21(18)33-15-23(27)28/h4,6-8,13-14,16H,9-12,15H2,1-2H3,(H,27,28)
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| InChIKey |
KXNWIHWRTRUHNW-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