General Information of the Compound
| Compound ID |
CP0883671
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| Compound Name |
SID85803790
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| Structure |
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| Formula |
C34H48F3N5O6
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| Molecular Weight |
679.781
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| Canonical SMILES |
CC(C)NC(=O)N(C)C[C@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C
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| InChI |
InChI=1S/C34H48F3N5O6/c1-21(2)38-33(46)41(6)19-30-22(3)18-42(23(4)20-43)31(44)28-17-27(14-15-29(28)48-24(5)9-7-8-16-47-30)40-32(45)39-26-12-10-25(11-13-26)34(35,36)37/h10-15,17,21-24,30,43H,7-9,16,18-20H2,1-6H3,(H,38,46)(H2,39,40,45)/t22-,23+,24-,30+/m0/s1
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| InChIKey |
COAZBYNBHJTJDZ-WUBQMYJQSA-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