General Information of the Compound
| Compound ID |
CP0467830
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| Compound Name |
CHEMBL391700
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| Formula |
C24H31F3N4O2S
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| Molecular Weight |
496.599
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NS(=O)(=O)c2cccnc2)CC1
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| InChI |
InChI=1S/C24H31F3N4O2S/c25-24(26,27)20-3-1-4-22(17-20)31-15-13-30(14-16-31)12-10-19-6-8-21(9-7-19)29-34(32,33)23-5-2-11-28-18-23/h1-5,11,17-19,21,29H,6-10,12-16H2/t19-,21-
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| InChIKey |
KYNADVPWOIATEI-XUTJKUGGSA-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