General Information of the Compound
Compound ID |
CP0174368
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Compound Name |
CHEMBL2326307
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Formula |
C27H35FN2O2S
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Molecular Weight |
470.654
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Canonical SMILES |
CCN(CC)c1ccc(CN([C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)S(=O)(=O)c2ccc(F)cc2)cc1
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InChI |
InChI=1S/C27H35FN2O2S/c1-3-29(4-2)25-9-5-20(6-10-25)19-30(33(31,32)26-11-7-24(28)8-12-26)27-16-21-13-22(17-27)15-23(14-21)18-27/h5-12,21-23H,3-4,13-19H2,1-2H3/t21-,22+,23-,27-
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InChIKey |
DHTVNYAYGCAZCX-KRPBIIQHSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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