General Information of the Compound
| Compound ID |
CP0572043
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| Compound Name |
CHEMBL4846489
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| Formula |
C22H33F3N4O5S
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| Molecular Weight |
522.59
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)N(c1cc(O[C@H]2CC[C@@H](CC2)S(C)(=O)=O)ncn1)C(F)(F)F
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| InChI |
InChI=1S/C22H33F3N4O5S/c1-21(2,3)34-20(30)28-11-9-15(10-12-28)29(22(23,24)25)18-13-19(27-14-26-18)33-16-5-7-17(8-6-16)35(4,31)32/h13-17H,5-12H2,1-4H3/t16-,17-
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| InChIKey |
BXEUHEQRTPFPIO-QAQDUYKDSA-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