General Information of the Compound
| Compound ID |
CP0881238
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| Compound Name |
US9067935, 122
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| Structure |
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| Formula |
C23H17F4N3O5S
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| Molecular Weight |
523.464
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| Canonical SMILES |
Cc1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(C(=O)O)cc2)nc2c(F)cccn12
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| InChI |
InChI=1S/C23H17F4N3O5S/c1-14-20(28-21-19(24)3-2-12-29(14)21)30(13-15-4-8-17(9-5-15)35-23(25,26)27)36(33,34)18-10-6-16(7-11-18)22(31)32/h2-12H,13H2,1H3,(H,31,32)
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| InChIKey |
LAZNIDOGPIBCHZ-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