General Information of the Compound
| Compound ID |
CP0535920
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| Compound Name |
US9340500, I-098
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| Structure |
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| Formula |
C23H31F3N4O3S
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| Molecular Weight |
500.587
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| Canonical SMILES |
Cc1c(cc(n1CCS(=O)(=O)N1CCNCC1)C(C)(C)C)C(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C23H31F3N4O3S/c1-16-19(21(31)28-18-7-5-6-17(14-18)23(24,25)26)15-20(22(2,3)4)30(16)12-13-34(32,33)29-10-8-27-9-11-29/h5-7,14-15,27H,8-13H2,1-4H3,(H,28,31)
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| InChIKey |
JTGQBGIARHGVTH-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