General Information of the Compound
| Compound ID |
CP0576421
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| Compound Name |
US9249085, I(u)
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| Structure |
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| Formula |
C22H18F3NO4
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| Molecular Weight |
417.383
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| Canonical SMILES |
Cc1cc(cc(CNc2c(F)ccc(OCC(O)=O)c2F)c1O)-c1cccc(F)c1
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| InChI |
InChI=1S/C22H18F3NO4/c1-12-7-14(13-3-2-4-16(23)9-13)8-15(22(12)29)10-26-21-17(24)5-6-18(20(21)25)30-11-19(27)28/h2-9,26,29H,10-11H2,1H3,(H,27,28)
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| InChIKey |
MRDNJKJTILQFEL-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