General Information of the Compound
| Compound ID |
CP0554660
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| Compound Name |
US9249085, I(ap)
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| Structure |
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| Formula |
C24H24FNO4
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| Molecular Weight |
409.457
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| Canonical SMILES |
COc1cc(CNc2c(C)ccc(OCC(O)=O)c2C)cc(c1)-c1cccc(F)c1
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| InChI |
InChI=1S/C24H24FNO4/c1-15-7-8-22(30-14-23(27)28)16(2)24(15)26-13-17-9-19(12-21(10-17)29-3)18-5-4-6-20(25)11-18/h4-12,26H,13-14H2,1-3H3,(H,27,28)
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| InChIKey |
FQVLQQVQDTXFNR-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