General Information of the Compound
| Compound ID |
CP0505623
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| Compound Name |
2-(2'-((N-ethylcyclopropanecarboxamido)methyl)-6-methoxy-4'-(quinolin-3-yl)biphenyl-3-yl)acetic acid
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| Structure |
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| Formula |
C31H30N2O4
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| Molecular Weight |
494.591
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| Canonical SMILES |
CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)-c1cnc2ccccc2c1)C(=O)C1CC1
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| InChI |
InChI=1S/C31H30N2O4/c1-3-33(31(36)21-9-10-21)19-25-16-22(24-17-23-6-4-5-7-28(23)32-18-24)11-12-26(25)27-14-20(15-30(34)35)8-13-29(27)37-2/h4-8,11-14,16-18,21H,3,9-10,15,19H2,1-2H3,(H,34,35)
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| InChIKey |
XJASFYLHOFTMBH-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