General Information of the Compound
| Compound ID |
CP0906071
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| Compound Name |
(R)-(4-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethynyl)phenyl)(3-(hydroxymethyl)piperidin-1-yl)methanone
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| Structure |
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| Formula |
C23H23NO4
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| Molecular Weight |
377.44
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| Canonical SMILES |
O=C(c1ccc(C#Cc2ccc3c(c2)OCCO3)cc1)N1CCC[C@@H](CO)C1
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| InChI |
InChI=1S/C23H23NO4/c25-16-19-2-1-11-24(15-19)23(26)20-8-5-17(6-9-20)3-4-18-7-10-21-22(14-18)28-13-12-27-21/h5-10,14,19,25H,1-2,11-13,15-16H2/t19-/m1/s1
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| InChIKey |
DQQLMLYYHRYJSJ-LJQANCHMSA-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