General Information of the Compound
| Compound ID |
CP0881113
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| Compound Name |
SID131412850
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| Structure |
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| Formula |
C37H52F3N5O6
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| Molecular Weight |
719.846
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| Canonical SMILES |
C[C@@H]1CCCCO[C@@H](CN(C)C(=O)NC2CCCCC2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O1
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| InChI |
InChI=1S/C37H52F3N5O6/c1-24-21-45(25(2)23-46)34(47)31-20-30(42-35(48)41-29-15-13-27(14-16-29)37(38,39)40)17-18-32(31)51-26(3)10-8-9-19-50-33(24)22-44(4)36(49)43-28-11-6-5-7-12-28/h13-18,20,24-26,28,33,46H,5-12,19,21-23H2,1-4H3,(H,43,49)(H2,41,42,48)/t24-,25+,26-,33+/m1/s1
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| InChIKey |
MJLMJXYCUJDZRA-PIMCHDTMSA-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