General Information of the Compound
| Compound ID |
CP0898773
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| Compound Name |
SID87543997
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| Structure |
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| Formula |
C36H44ClF3N4O7S
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| Molecular Weight |
769.283
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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)c3ccc(Cl)cc3)ccc2O1
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| InChI |
InChI=1S/C36H44ClF3N4O7S/c1-23-20-44(24(2)22-45)34(46)31-19-29(42-52(48,49)30-15-10-27(37)11-16-30)14-17-32(31)51-25(3)7-5-6-18-50-33(23)21-43(4)35(47)41-28-12-8-26(9-13-28)36(38,39)40/h8-17,19,23-25,33,42,45H,5-7,18,20-22H2,1-4H3,(H,41,47)/t23-,24+,25-,33-/m1/s1
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| InChIKey |
SSJOUEQPGSKUQN-XHJPHHBRSA-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