General Information of the Compound
| Compound ID |
CP0747957
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| Compound Name |
US9266835, 136
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| Structure |
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| Formula |
C28H24Cl2F3N3O4S
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| Molecular Weight |
626.484
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| Canonical SMILES |
O=c1cc(NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c2cc(C(Oc3ccc(Cl)cc3)c3ccc(Cl)cc3)ccc2[nH]1
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| InChI |
InChI=1S/C28H24Cl2F3N3O4S/c29-19-4-1-17(2-5-19)27(40-22-8-6-20(30)7-9-22)18-3-10-24-23(15-18)25(16-26(37)35-24)34-21-11-13-36(14-12-21)41(38,39)28(31,32)33/h1-10,15-16,21,27H,11-14H2,(H2,34,35,37)
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| InChIKey |
ASQSGISVVFCHTC-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