General Information of the Compound
| Compound ID |
CP0942503
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| Compound Name |
SID87218853
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| Structure |
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| Formula |
C30H34Cl2FN3O5S
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| Molecular Weight |
638.589
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| Canonical SMILES |
C[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2O[C@H]1CN(C)Cc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C30H34Cl2FN3O5S/c1-19-15-36(20(2)18-37)30(38)14-22-13-24(34-42(39,40)25-8-5-23(33)6-9-25)7-11-28(22)41-29(19)17-35(3)16-21-4-10-26(31)27(32)12-21/h4-13,19-20,29,34,37H,14-18H2,1-3H3/t19-,20+,29+/m1/s1
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| InChIKey |
DEMCBGNJFOTASI-IKDMDFKBSA-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