General Information of the Compound
| Compound ID |
CP0564016
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| Compound Name |
2-[(3E)-5-[[3-(4-methoxy-2,6-dimethylphenyl)phenyl]methoxy]-3-methoxyimino-1,2-dihydroinden-1-yl]acetic acid
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| Structure |
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| Formula |
C28H29NO5
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| Molecular Weight |
459.542
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| Canonical SMILES |
CO\N=C1/CC(CC(O)=O)c2ccc(OCc3cccc(c3)-c3c(C)cc(OC)cc3C)cc12
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| InChI |
InChI=1S/C28H29NO5/c1-17-10-23(32-3)11-18(2)28(17)20-7-5-6-19(12-20)16-34-22-8-9-24-21(14-27(30)31)13-26(29-33-4)25(24)15-22/h5-12,15,21H,13-14,16H2,1-4H3,(H,30,31)/b29-26+
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| InChIKey |
IVAAQCPFQVTFTE-PBBVDAKRSA-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