General Information of the Compound
| Compound ID |
CP0472029
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| Compound Name |
2-[(3S)-6-[[3-[2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-6-yl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid;hydrochloride
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| Structure |
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| Formula |
C34H34ClNO4
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| Molecular Weight |
556.102
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| Canonical SMILES |
Cl.OC(=O)C[C@@H]1COc2cc(OCc3cccc(c3)-c3ccc4CN(CCc5ccccc5)CCc4c3)ccc12
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| InChI |
InChI=1S/C34H33NO4.ClH/c36-34(37)19-30-23-39-33-20-31(11-12-32(30)33)38-22-25-7-4-8-26(17-25)27-9-10-29-21-35(16-14-28(29)18-27)15-13-24-5-2-1-3-6-24;/h1-12,17-18,20,30H,13-16,19,21-23H2,(H,36,37);1H/t30-;/m1./s1
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| InChIKey |
LVQYAMYWLKZPER-VNUFCWELSA-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