General Information of the Compound
| Compound ID |
CP0860343
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| Compound Name |
SID85800737
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| Structure |
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| Formula |
C35H36F3N5O5
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| Molecular Weight |
663.697
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| Canonical SMILES |
C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)Nc3cccc4ccccc34)c2O[C@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1
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| InChI |
InChI=1S/C35H36F3N5O5/c1-21-18-43(22(2)20-44)32(45)27-11-7-13-29(41-33(46)40-28-12-6-9-23-8-4-5-10-26(23)28)31(27)48-30(21)19-42(3)34(47)39-25-16-14-24(15-17-25)35(36,37)38/h4-17,21-22,30,44H,18-20H2,1-3H3,(H,39,47)(H2,40,41,46)/t21-,22-,30+/m1/s1
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| InChIKey |
VOMUYBKWHUZOKW-WOGZVKCMSA-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