General Information of the Compound
| Compound ID |
CP0940970
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| Compound Name |
(R)-(3-(hydroxymethyl)piperidin-1-yl)(4-((4-hydroxyphenyl)ethynyl)phenyl)methanone
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| Structure |
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| Formula |
C21H21NO3
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| Molecular Weight |
335.403
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| Canonical SMILES |
O=C(c1ccc(C#Cc2ccc(O)cc2)cc1)N1CCC[C@@H](CO)C1
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| InChI |
InChI=1S/C21H21NO3/c23-15-18-2-1-13-22(14-18)21(25)19-9-5-16(6-10-19)3-4-17-7-11-20(24)12-8-17/h5-12,18,23-24H,1-2,13-15H2/t18-/m1/s1
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| InChIKey |
LHLYMCVQNUNJHY-GOSISDBHSA-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