General Information of the Compound
| Compound ID |
CP0531715
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| Compound Name |
US9434711, 779
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| Structure |
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| Formula |
C24H23F4N3O2S2
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| Molecular Weight |
525.593
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)CCCCn1ccnc1
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| InChI |
InChI=1S/C24H23F4N3O2S2/c1-17-19-6-2-3-7-22(19)34-23(17)31(15-18-8-9-21(25)20(14-18)24(26,27)28)35(32,33)13-5-4-11-30-12-10-29-16-30/h2-3,6-10,12,14,16H,4-5,11,13,15H2,1H3
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| InChIKey |
FNCYAEFLXWARTR-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