General Information of the Compound
| Compound ID |
CP0864193
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| Compound Name |
rac-N-((3S*,4S*)-4-Benzylpyrrolidin-3-ylmethyl)-N-phenyl-4-methoxy-3-(3-methoxypropoxy)-benzamide Hydrochloride Salt
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| Structure |
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| Formula |
C30H37ClN2O4
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| Molecular Weight |
525.089
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| Canonical SMILES |
COCCCOc1cc(C(=O)N(CC2CNCC2Cc2ccccc2)c2ccccc2)ccc1OC.Cl
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| InChI |
InChI=1S/C30H36N2O4.ClH/c1-34-16-9-17-36-29-19-24(14-15-28(29)35-2)30(33)32(27-12-7-4-8-13-27)22-26-21-31-20-25(26)18-23-10-5-3-6-11-23;/h3-8,10-15,19,25-26,31H,9,16-18,20-22H2,1-2H3;1H
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| InChIKey |
DCTKERMJIJLMFH-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