General Information of the Compound
| Compound ID |
CP0872444
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| Compound Name |
SID87541101
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| Structure |
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| Formula |
C37H46F3N3O5
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| Molecular Weight |
669.785
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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(NC(=O)c3ccccc3)ccc2O1
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| InChI |
InChI=1S/C37H46F3N3O5/c1-25-21-43(26(2)24-44)36(46)32-20-31(41-35(45)29-11-6-5-7-12-29)17-18-33(32)48-27(3)10-8-9-19-47-34(25)23-42(4)22-28-13-15-30(16-14-28)37(38,39)40/h5-7,11-18,20,25-27,34,44H,8-10,19,21-24H2,1-4H3,(H,41,45)/t25-,26-,27-,34+/m0/s1
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| InChIKey |
KVYNYDNSHYPGTF-CBUCOWSNSA-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