General Information of the Compound
| Compound ID |
CP0517283
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| Compound Name |
US9434711, 723
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| Structure |
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| Formula |
C25H17F4N3O2S2
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| Molecular Weight |
531.556
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)c1cccc2nccnc12
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| InChI |
InChI=1S/C25H17F4N3O2S2/c1-15-17-5-2-3-7-21(17)35-24(15)32(14-16-9-10-19(26)18(13-16)25(27,28)29)36(33,34)22-8-4-6-20-23(22)31-12-11-30-20/h2-13H,14H2,1H3
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| InChIKey |
KLDZUFHQPVMZRQ-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