General Information of the Compound
| Compound ID |
CP0449651
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| Compound Name |
ethyl 3-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]propanoate
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| Structure |
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| Formula |
C24H31NO2
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| Molecular Weight |
365.517
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| Canonical SMILES |
CCOC(=O)CCc1ccc(cc1)-c1ccc(CCN2CCC[C@H]2C)cc1
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| InChI |
InChI=1S/C24H31NO2/c1-3-27-24(26)15-10-20-6-11-22(12-7-20)23-13-8-21(9-14-23)16-18-25-17-4-5-19(25)2/h6-9,11-14,19H,3-5,10,15-18H2,1-2H3/t19-/m1/s1
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| InChIKey |
IWYOPNLGILOBQE-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