General Information of the Compound
| Compound ID |
CP0942292
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| Compound Name |
3-(2-(5-chloro-2-((tetrahydro-2H-pyran-4-yl)methoxy)phenyl)-5-methyl-1H-pyrrol-1-yl)benzoic acid
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| Structure |
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| Formula |
C24H24ClNO4
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| Molecular Weight |
425.912
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| Canonical SMILES |
Cc1ccc(-c2cc(Cl)ccc2OCC2CCOCC2)n1-c1cccc(C(=O)O)c1
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| InChI |
InChI=1S/C24H24ClNO4/c1-16-5-7-22(26(16)20-4-2-3-18(13-20)24(27)28)21-14-19(25)6-8-23(21)30-15-17-9-11-29-12-10-17/h2-8,13-14,17H,9-12,15H2,1H3,(H,27,28)
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| InChIKey |
TVMVBXQYGZHSSY-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