General Information of the Compound
| Compound ID |
CP0429318
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| Compound Name |
2-[(3S)-6-[[3-(2-benzyl-1,3-dihydroisoindol-5-yl)phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid;hydrochloride
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| Structure |
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| Formula |
C32H30ClNO4
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| Molecular Weight |
528.048
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| Canonical SMILES |
Cl.OC(=O)C[C@@H]1COc2cc(OCc3cccc(c3)-c3ccc4CN(Cc5ccccc5)Cc4c3)ccc12
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| InChI |
InChI=1S/C32H29NO4.ClH/c34-32(35)15-28-21-37-31-16-29(11-12-30(28)31)36-20-23-7-4-8-24(13-23)25-9-10-26-18-33(19-27(26)14-25)17-22-5-2-1-3-6-22;/h1-14,16,28H,15,17-21H2,(H,34,35);1H/t28-;/m1./s1
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| InChIKey |
RYVUNWKMZZDINE-LNLSOMNWSA-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