General Information of the Compound
| Compound ID |
CP0471785
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| Compound Name |
US9266835, 532
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| Structure |
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| Formula |
C30H26Cl2F3N3O5S
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| Molecular Weight |
668.521
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| Canonical SMILES |
OC(=O)COc1cc(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C30H26Cl2F3N3O5S/c31-21-6-1-18(2-7-21)29(19-3-8-22(32)9-4-19)20-5-10-25-24(15-20)26(16-27(37-25)43-17-28(39)40)36-23-11-13-38(14-12-23)44(41,42)30(33,34)35/h1-10,15-16,23,29H,11-14,17H2,(H,36,37)(H,39,40)
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| InChIKey |
PIVZSKWUQYYFKC-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