General Information of the Compound
| Compound ID |
CP0571443
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| Compound Name |
(E)-3-[4-[[7-fluoro-2-oxo-3-[4-(trifluoromethoxy)phenyl]chromen-4-yl]methyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C26H16F4O5
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| Molecular Weight |
484.401
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| Canonical SMILES |
OC(=O)\C=C\c1ccc(Cc2c(-c3ccc(OC(F)(F)F)cc3)c(=O)oc3cc(F)ccc23)cc1
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| InChI |
InChI=1S/C26H16F4O5/c27-18-8-11-20-21(13-16-3-1-15(2-4-16)5-12-23(31)32)24(25(33)34-22(20)14-18)17-6-9-19(10-7-17)35-26(28,29)30/h1-12,14H,13H2,(H,31,32)/b12-5+
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| InChIKey |
QVVVXUIKYFXLSM-LFYBBSHMSA-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