General Information of the Compound
| Compound ID |
CP0884742
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| Compound Name |
SID87543518
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| Structure |
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| Formula |
C37H46F3N5O6
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| Molecular Weight |
713.798
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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)Nc3ccccc3)ccc2O1
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| InChI |
InChI=1S/C37H46F3N5O6/c1-24-21-45(25(2)23-46)34(47)31-20-30(42-35(48)41-28-11-6-5-7-12-28)17-18-32(31)51-26(3)10-8-9-19-50-33(24)22-44(4)36(49)43-29-15-13-27(14-16-29)37(38,39)40/h5-7,11-18,20,24-26,33,46H,8-10,19,21-23H2,1-4H3,(H,43,49)(H2,41,42,48)/t24-,25-,26+,33+/m0/s1
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| InChIKey |
HBJOSWIDKXAZFK-GMNHBYEWSA-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