General Information of the Compound
| Compound ID |
CP0969771
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| Compound Name |
US9266835, 72
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| Structure |
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| Formula |
C27H23Cl2F3N4O3S
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| Molecular Weight |
611.473
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| Canonical SMILES |
O=c1cc(NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c2cc(C(c3ccc(Cl)cc3)c3ccc(Cl)nc3)ccc2[nH]1
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| InChI |
InChI=1S/C27H23Cl2F3N4O3S/c28-19-5-1-16(2-6-19)26(18-4-8-24(29)33-15-18)17-3-7-22-21(13-17)23(14-25(37)35-22)34-20-9-11-36(12-10-20)40(38,39)27(30,31)32/h1-8,13-15,20,26H,9-12H2,(H2,34,35,37)
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| InChIKey |
VODLFQKESGLLEP-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