General Information of the Compound
| Compound ID |
CP0903864
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| Compound Name |
rac-((3S*,4S*)-4-Benzylpyrrolidin-3-ylmethyl)-isopropyl-[4-methoxy-3-(3-methoxypropoxy)benzyl]-amine Hydrochloride Salt
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| Structure |
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| Formula |
C27H41ClN2O3
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| Molecular Weight |
477.089
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| Canonical SMILES |
COCCCOc1cc(CN(CC2CNCC2Cc2ccccc2)C(C)C)ccc1OC.Cl
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| InChI |
InChI=1S/C27H40N2O3.ClH/c1-21(2)29(20-25-18-28-17-24(25)15-22-9-6-5-7-10-22)19-23-11-12-26(31-4)27(16-23)32-14-8-13-30-3;/h5-7,9-12,16,21,24-25,28H,8,13-15,17-20H2,1-4H3;1H
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| InChIKey |
LPGAQWUXOZZTNU-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