General Information of the Compound
| Compound ID |
CP0059392
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| Compound Name |
N-[(2S)-1-[[1-(4-fluorophenyl)indazol-4-yl]amino]-3-methylbutan-2-yl]-2,4,6-trimethylbenzenesulfonamide
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| Structure |
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| Formula |
C27H31FN4O2S
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| Molecular Weight |
494.636
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| Canonical SMILES |
CC(C)[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C
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| InChI |
InChI=1S/C27H31FN4O2S/c1-17(2)25(31-35(33,34)27-19(4)13-18(3)14-20(27)5)16-29-24-7-6-8-26-23(24)15-30-32(26)22-11-9-21(28)10-12-22/h6-15,17,25,29,31H,16H2,1-5H3/t25-/m1/s1
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| InChIKey |
HBDNUMAGHBETOL-RUZDIDTESA-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