General Information of the Compound
| Compound ID |
CP0067175
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| Compound Name |
[(2S)-1-[2-[4-[2-[5-(4-chlorophenyl)pyridin-2-yl]ethynyl]-2-methylphenoxy]ethyl]pyrrolidin-2-yl]methanol
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| Structure |
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| Formula |
C27H27ClN2O2
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| Molecular Weight |
446.978
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| Canonical SMILES |
Cc1cc(ccc1OCCN1CCC[C@H]1CO)C#Cc1ccc(cn1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C27H27ClN2O2/c1-20-17-21(5-13-27(20)32-16-15-30-14-2-3-26(30)19-31)4-11-25-12-8-23(18-29-25)22-6-9-24(28)10-7-22/h5-10,12-13,17-18,26,31H,2-3,14-16,19H2,1H3/t26-/m0/s1
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| InChIKey |
ZOKQZJZIENINDP-SANMLTNESA-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