General Information of the Compound
| Compound ID |
CP0913946
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| Compound Name |
rac-N-((3S*,4S*)-4-Benzylpyrrolidin-3-ylmethyl)-N-(4-chlorophenyl)-4-methoxy-3-(3-methoxypropoxy)benzamide Hydrochloride Salt
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| Structure |
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| Formula |
C30H36Cl2N2O4
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| Molecular Weight |
559.534
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| Canonical SMILES |
COCCCOc1cc(C(=O)N(CC2CNCC2Cc2ccccc2)c2ccc(Cl)cc2)ccc1OC.Cl
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| InChI |
InChI=1S/C30H35ClN2O4.ClH/c1-35-15-6-16-37-29-18-23(9-14-28(29)36-2)30(34)33(27-12-10-26(31)11-13-27)21-25-20-32-19-24(25)17-22-7-4-3-5-8-22;/h3-5,7-14,18,24-25,32H,6,15-17,19-21H2,1-2H3;1H
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| InChIKey |
RULRSONIHZUMHT-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