General Information of the Compound
| Compound ID |
CP0267585
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| Compound Name |
US11078186, Example 125
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| Structure |
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| Formula |
C27H28F7N3O3
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| Molecular Weight |
575.525
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| Canonical SMILES |
C[C@@]1(CN(C[C@H]1c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)C(=O)C1CCN(CC1)C(N)=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C27H28F7N3O3/c1-24(18-6-8-20(28)9-7-18)15-37(22(38)17-10-12-36(13-11-17)23(35)39)14-21(24)16-2-4-19(5-3-16)25(40,26(29,30)31)27(32,33)34/h2-9,17,21,40H,10-15H2,1H3,(H2,35,39)/t21-,24+/m0/s1
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| InChIKey |
UQQGWBXOULNAGK-XUZZJYLKSA-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