General Information of the Compound
| Compound ID |
CP0891360
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| Compound Name |
SID87541097
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| Structure |
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| Formula |
C34H44F6N4O6
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| Molecular Weight |
718.736
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| Canonical SMILES |
C[C@H]1CCCCO[C@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCC(F)(F)F)ccc2O1
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| InChI |
InChI=1S/C34H44F6N4O6/c1-21-18-44(22(2)20-45)31(47)27-17-26(41-30(46)14-15-33(35,36)37)12-13-28(27)50-23(3)7-5-6-16-49-29(21)19-43(4)32(48)42-25-10-8-24(9-11-25)34(38,39)40/h8-13,17,21-23,29,45H,5-7,14-16,18-20H2,1-4H3,(H,41,46)(H,42,48)/t21-,22-,23-,29+/m0/s1
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| InChIKey |
VJUSOOVXAHQYTN-FSDPBTBWSA-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