General Information of the Compound
| Compound ID |
CP0913947
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| Compound Name |
rac-N-((3S*,4S*)-4-Benzylpyrrolidin-3-yl-methyl)-(4-chlorophenyl)-[4-methoxy-3-(3-methoxypropoxy)-benzyl]-amine Hydrochloride Salt
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| Structure |
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| Formula |
C30H38Cl2N2O3
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| Molecular Weight |
545.551
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| Canonical SMILES |
COCCCOc1cc(CN(CC2CNCC2Cc2ccccc2)c2ccc(Cl)cc2)ccc1OC.Cl
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| InChI |
InChI=1S/C30H37ClN2O3.ClH/c1-34-15-6-16-36-30-18-24(9-14-29(30)35-2)21-33(28-12-10-27(31)11-13-28)22-26-20-32-19-25(26)17-23-7-4-3-5-8-23;/h3-5,7-14,18,25-26,32H,6,15-17,19-22H2,1-2H3;1H
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| InChIKey |
AXXGLUWXOMUOMM-UHFFFAOYSA-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