General Information of the Compound
| Compound ID |
CP0562369
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| Compound Name |
US9249085, I(ae)
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| Structure |
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| Formula |
C23H21F2NO3
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| Molecular Weight |
397.421
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| Canonical SMILES |
Cc1cc(CNc2c(F)ccc(OCC(O)=O)c2C)cc(c1)-c1cccc(F)c1
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| InChI |
InChI=1S/C23H21F2NO3/c1-14-8-16(10-18(9-14)17-4-3-5-19(24)11-17)12-26-23-15(2)21(7-6-20(23)25)29-13-22(27)28/h3-11,26H,12-13H2,1-2H3,(H,27,28)
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| InChIKey |
KTPUQWGEHOVRTA-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