General Information of the Compound
| Compound ID |
CP0483318
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| Compound Name |
4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]butanoic acid
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| Structure |
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| Formula |
C23H29NO2
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| Molecular Weight |
351.49
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| Canonical SMILES |
C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(CCCC(O)=O)cc1
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| InChI |
InChI=1S/C23H29NO2/c1-18-4-3-16-24(18)17-15-20-9-13-22(14-10-20)21-11-7-19(8-12-21)5-2-6-23(25)26/h7-14,18H,2-6,15-17H2,1H3,(H,25,26)/t18-/m1/s1
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| InChIKey |
NWARXTXDBNSWOA-GOSISDBHSA-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