General Information of the Compound
| Compound ID |
CP0468048
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| Compound Name |
US8618303, 28
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| Structure |
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| Formula |
C25H28ClFN2O4
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| Molecular Weight |
474.96
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| Canonical SMILES |
CN([C@@H]1CN(C[C@@]1(C)c1ccc(Cl)cc1)C(=O)C1CCOCC1)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C25H28ClFN2O4/c1-25(18-3-5-19(26)6-4-18)16-29(23(30)17-11-13-32-14-12-17)15-22(25)28(2)24(31)33-21-9-7-20(27)8-10-21/h3-10,17,22H,11-16H2,1-2H3/t22-,25+/m1/s1
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| InChIKey |
NSPRJFDTVTYZCH-RDGATRHJSA-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