General Information of the Compound
| Compound ID |
CP0486302
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| Compound Name |
US9346786, 81
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| Structure |
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| Formula |
C26H30ClF2N3O5S
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| Molecular Weight |
570.058
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| Canonical SMILES |
CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)S(C)(=O)=O)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C26H30ClF2N3O5S/c1-3-32(26(34)37-20-7-5-19(28)6-8-20)24-16-30(15-21(24)18-4-9-22(27)23(29)14-18)25(33)17-10-12-31(13-11-17)38(2,35)36/h4-9,14,17,21,24H,3,10-13,15-16H2,1-2H3/t21-,24+/m0/s1
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| InChIKey |
WYAWFWHOVHCJQS-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