General Information of the Compound
| Compound ID |
CP0897058
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| Compound Name |
SID85805118
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| Structure |
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| Formula |
C36H51FN4O6
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| Molecular Weight |
654.824
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| Canonical SMILES |
C[C@H]1CCCCO[C@H](CN(C)C(=O)C2CCCCC2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2O1
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| InChI |
InChI=1S/C36H51FN4O6/c1-24-21-41(25(2)23-42)35(44)31-20-30(39-36(45)38-29-15-13-28(37)14-16-29)17-18-32(31)47-26(3)10-8-9-19-46-33(24)22-40(4)34(43)27-11-6-5-7-12-27/h13-18,20,24-27,33,42H,5-12,19,21-23H2,1-4H3,(H2,38,39,45)/t24-,25-,26-,33+/m0/s1
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| InChIKey |
KPFAJJQFWRHIQI-DXCNDIKUSA-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