General Information of the Compound
| Compound ID |
CP0758372
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| Compound Name |
4-((S)-3-((R)-1-(naphthalen-1-yl)ethylamino)pyrrolidin-1-yl)benzoic acid hydrochloride
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| Structure |
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| Formula |
C23H25ClN2O2
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| Molecular Weight |
396.918
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| Canonical SMILES |
C[C@@H](N[C@H]1CCN(c2ccc(C(=O)O)cc2)C1)c1cccc2ccccc12.Cl
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| InChI |
InChI=1S/C23H24N2O2.ClH/c1-16(21-8-4-6-17-5-2-3-7-22(17)21)24-19-13-14-25(15-19)20-11-9-18(10-12-20)23(26)27;/h2-12,16,19,24H,13-15H2,1H3,(H,26,27);1H/t16-,19+;/m1./s1
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| InChIKey |
LREVGJSEOXTERE-VWJDFLIZSA-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