General Information of the Compound
| Compound ID |
CP0959676
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| Compound Name |
SID104170442
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| Structure |
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| Formula |
C36H52FN5O6
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| Molecular Weight |
669.839
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| Canonical SMILES |
C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2O[C@@H](C)CCCCO[C@H]1CN(C)C(=O)NC1CCCCC1
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| InChI |
InChI=1S/C36H52FN5O6/c1-24-21-42(25(2)23-43)34(44)31-20-30(39-35(45)38-29-15-13-27(37)14-16-29)17-18-32(31)48-26(3)10-8-9-19-47-33(24)22-41(4)36(46)40-28-11-6-5-7-12-28/h13-18,20,24-26,28,33,43H,5-12,19,21-23H2,1-4H3,(H,40,46)(H2,38,39,45)/t24-,25-,26+,33+/m1/s1
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| InChIKey |
RITGTZKQJYSQFB-DWAIMSSFSA-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