General Information of the Compound
| Compound ID |
CP0960190
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| Compound Name |
SID131408963
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| Structure |
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| Formula |
C31H36F3N3O5S
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| Molecular Weight |
619.706
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| Canonical SMILES |
C[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NS(=O)(=O)c3ccccc3)ccc2O[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
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| InChI |
InChI=1S/C31H36F3N3O5S/c1-21-17-37(22(2)20-38)30(39)16-24-15-26(35-43(40,41)27-7-5-4-6-8-27)13-14-28(24)42-29(21)19-36(3)18-23-9-11-25(12-10-23)31(32,33)34/h4-15,21-22,29,35,38H,16-20H2,1-3H3/t21-,22+,29+/m1/s1
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| InChIKey |
GEOCHRKREBIDMG-BXOOBUKZSA-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