General Information of the Compound
| Compound ID |
CP0371879
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| Compound Name |
CHEMBL236407
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| Formula |
C29H35F3N2O2S2
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| Molecular Weight |
564.739
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| Canonical SMILES |
FC(F)(F)c1cccc(CC2CCN(CC[C@H]3CC[C@@H](CC3)NS(=O)(=O)c3cc4ccccc4s3)CC2)c1
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| InChI |
InChI=1S/C29H35F3N2O2S2/c30-29(31,32)25-6-3-4-23(19-25)18-22-13-16-34(17-14-22)15-12-21-8-10-26(11-9-21)33-38(35,36)28-20-24-5-1-2-7-27(24)37-28/h1-7,19-22,26,33H,8-18H2/t21-,26-
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| InChIKey |
QWEKXOVUJZFIHF-WVPZODRTSA-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