General Information of the Compound
| Compound ID |
CP0373512
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| Compound Name |
4-Chloro-3'-((2-cyclopentyl-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yloxy)methyl)biphenyl-3-carboxylic Acid
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| Structure |
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| Formula |
C28H26ClNO4
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| Molecular Weight |
475.972
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| Canonical SMILES |
OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3C(=O)N(CCc3c2)C2CCCC2)c1
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| InChI |
InChI=1S/C28H26ClNO4/c29-26-11-8-20(16-25(26)28(32)33)19-5-3-4-18(14-19)17-34-23-9-10-24-21(15-23)12-13-30(27(24)31)22-6-1-2-7-22/h3-5,8-11,14-16,22H,1-2,6-7,12-13,17H2,(H,32,33)
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| InChIKey |
OAQBFIUKZFPSMN-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