General Information of the Compound
| Compound ID |
CP0006604
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| Compound Name |
US9777008, Compound 201
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| Structure |
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| Formula |
C27H30FNO3
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| Molecular Weight |
435.539
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| Canonical SMILES |
CC(C)Oc1ccc(F)c(c1)-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
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| InChI |
InChI=1S/C27H30FNO3/c1-19(2)32-25-10-11-27(28)26(15-25)21-8-5-9-24(14-21)31-18-23(30)17-29-13-12-20-6-3-4-7-22(20)16-29/h3-11,14-15,19,23,30H,12-13,16-18H2,1-2H3
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| InChIKey |
MVIXQHJIKBYQMO-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