General Information of the Compound
| Compound ID |
CP0900524
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| Compound Name |
SID87540250
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| Structure |
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| Formula |
C36H46F3N3O6S
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| Molecular Weight |
705.84
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| Canonical SMILES |
C[C@@H]1CCCCO[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O1
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| InChI |
InChI=1S/C36H46F3N3O6S/c1-25-21-42(26(2)24-43)35(44)32-20-30(40-49(45,46)31-11-6-5-7-12-31)17-18-33(32)48-27(3)10-8-9-19-47-34(25)23-41(4)22-28-13-15-29(16-14-28)36(37,38)39/h5-7,11-18,20,25-27,34,40,43H,8-10,19,21-24H2,1-4H3/t25-,26+,27-,34+/m1/s1
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| InChIKey |
UIKXZKCHSBRXDR-VUYBWUDLSA-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