General Information of the Compound
| Compound ID |
CP0257487
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| Compound Name |
[(2R)-1-[2-[4-[2-[5-(4-chlorophenyl)pyridin-2-yl]ethynyl]phenoxy]ethyl]pyrrolidin-2-yl]methanol
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| Structure |
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| Formula |
C26H25ClN2O2
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| Molecular Weight |
432.951
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| Canonical SMILES |
OC[C@H]1CCCN1CCOc1ccc(cc1)C#Cc1ccc(cn1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C26H25ClN2O2/c27-23-9-6-21(7-10-23)22-8-12-24(28-18-22)11-3-20-4-13-26(14-5-20)31-17-16-29-15-1-2-25(29)19-30/h4-10,12-14,18,25,30H,1-2,15-17,19H2/t25-/m1/s1
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| InChIKey |
GGTZHCUZWHTXIC-RUZDIDTESA-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