General Information of the Compound
| Compound ID |
CP0965790
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| Compound Name |
SID131426920
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| Structure |
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| Formula |
C30H38FN3O5S
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| Molecular Weight |
571.715
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| Canonical SMILES |
C[C@@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#Cc3ccc(F)cc3)cc2O[C@H]1CN(C)C(=O)NC1CCCCC1
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| InChI |
InChI=1S/C30H38FN3O5S/c1-21-18-34(22(2)20-35)40(37,38)29-16-13-24(10-9-23-11-14-25(31)15-12-23)17-27(29)39-28(21)19-33(3)30(36)32-26-7-5-4-6-8-26/h11-17,21-22,26,28,35H,4-8,18-20H2,1-3H3,(H,32,36)/t21-,22+,28+/m1/s1
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| InChIKey |
VEGIXFNIVQHFBU-WENCSYSZSA-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