General Information of the Compound
| Compound ID |
CP0940969
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| Compound Name |
(R)-(4-((2,3-difluoro-4-methoxyphenyl)ethynyl)phenyl)(3-(hydroxymethyl)piperidin-1-yl)methanone
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| Structure |
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| Formula |
C22H21F2NO3
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| Molecular Weight |
385.41
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| Canonical SMILES |
COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@@H](CO)C3)cc2)c(F)c1F
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| InChI |
InChI=1S/C22H21F2NO3/c1-28-19-11-10-17(20(23)21(19)24)7-4-15-5-8-18(9-6-15)22(27)25-12-2-3-16(13-25)14-26/h5-6,8-11,16,26H,2-3,12-14H2,1H3/t16-/m1/s1
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| InChIKey |
NJWCAZRJXFXAHH-MRXNPFEDSA-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