General Information of the Compound
| Compound ID |
CP0882535
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| Compound Name |
SID131412457
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| Structure |
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| Formula |
C36H45ClF3N3O6S
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| Molecular Weight |
740.285
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| Canonical SMILES |
C[C@@H]1CCCCO[C@H](CN(C)Cc2ccc(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/C36H45ClF3N3O6S/c1-24-20-43(25(2)23-44)35(45)32-19-30(41-50(46,47)31-15-12-29(37)13-16-31)14-17-33(32)49-26(3)7-5-6-18-48-34(24)22-42(4)21-27-8-10-28(11-9-27)36(38,39)40/h8-17,19,24-26,34,41,44H,5-7,18,20-23H2,1-4H3/t24-,25-,26+,34+/m0/s1
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| InChIKey |
QMCFBRPLMVFDBX-BEAGFIRGSA-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