General Information of the Compound
| Compound ID |
CP0885846
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| Compound Name |
SID131409313
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| Structure |
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| Formula |
C29H34F3N3O5S2
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| Molecular Weight |
625.735
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| Canonical SMILES |
C[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NS(=O)(=O)c3cccs3)ccc2O[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
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| InChI |
InChI=1S/C29H34F3N3O5S2/c1-19-15-35(20(2)18-36)27(37)14-22-13-24(33-42(38,39)28-5-4-12-41-28)10-11-25(22)40-26(19)17-34(3)16-21-6-8-23(9-7-21)29(30,31)32/h4-13,19-20,26,33,36H,14-18H2,1-3H3/t19-,20+,26+/m1/s1
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| InChIKey |
RKARMTSJUQLXGR-GOHWNWGWSA-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