General Information of the Compound
| Compound ID |
CP0528867
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| Compound Name |
CHEMBL2024510
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| Formula |
C20H30F3N3O2S
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| Molecular Weight |
433.54
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| Canonical SMILES |
CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(c2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C20H30F3N3O2S/c1-29(27,28)24-18-7-5-16(6-8-18)9-10-25-11-13-26(14-12-25)19-4-2-3-17(15-19)20(21,22)23/h2-4,15-16,18,24H,5-14H2,1H3/t16-,18-
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| InChIKey |
WXOFSOBWUSNIIJ-SAABIXHNSA-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