General Information of the Compound
| Compound ID |
CP0460333
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| Compound Name |
2-[[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]methoxy]acetic acid
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| Structure |
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| Formula |
C22H27NO3
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| Molecular Weight |
353.462
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| Canonical SMILES |
C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(COCC(O)=O)cc1
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| InChI |
InChI=1S/C22H27NO3/c1-17-3-2-13-23(17)14-12-18-4-8-20(9-5-18)21-10-6-19(7-11-21)15-26-16-22(24)25/h4-11,17H,2-3,12-16H2,1H3,(H,24,25)/t17-/m1/s1
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| InChIKey |
GQSYJJSGQPOWGN-QGZVFWFLSA-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