General Information of the Compound
| Compound ID |
CP0875020
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| Compound Name |
SID131410499
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| Structure |
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| Formula |
C34H45F3N6O7S
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| Molecular Weight |
738.83
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| Canonical SMILES |
C[C@H]1CCCCO[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cn(C)cn3)ccc2O1
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| InChI |
InChI=1S/C34H45F3N6O7S/c1-22-17-43(23(2)20-44)32(45)28-16-27(40-51(47,48)31-19-41(4)21-38-31)13-14-29(28)50-24(3)8-6-7-15-49-30(22)18-42(5)33(46)39-26-11-9-25(10-12-26)34(35,36)37/h9-14,16,19,21-24,30,40,44H,6-8,15,17-18,20H2,1-5H3,(H,39,46)/t22-,23-,24-,30-/m0/s1
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| InChIKey |
DKIVYPZVYUOSIP-CQUCHYGKSA-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