General Information of the Compound
| Compound ID |
CP0450549
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| Compound Name |
US9187424, 106
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| Structure |
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| Formula |
C29H25F6NO3
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| Molecular Weight |
549.511
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| Canonical SMILES |
Cc1ccc(cc1)C1=C(Oc2ccccc2)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C29H25F6NO3/c1-19-8-10-20(11-9-19)24-18-27(29(33,34)35,36-26(37)25(24)39-23-6-3-2-4-7-23)21-12-14-22(15-13-21)38-17-5-16-28(30,31)32/h2-4,6-15H,5,16-18H2,1H3,(H,36,37)/t27-/m0/s1
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| InChIKey |
VFSDYCUMBLVRMP-MHZLTWQESA-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