General Information of the Compound
| Compound ID |
CP0857043
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| Compound Name |
SID131409422
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| Structure |
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| Formula |
C31H33F4N5O5
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| Molecular Weight |
631.627
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| Canonical SMILES |
C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc(F)cc3)c2O[C@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1
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| InChI |
InChI=1S/C31H33F4N5O5/c1-18-15-40(19(2)17-41)28(42)24-5-4-6-25(38-29(43)36-22-13-9-21(32)10-14-22)27(24)45-26(18)16-39(3)30(44)37-23-11-7-20(8-12-23)31(33,34)35/h4-14,18-19,26,41H,15-17H2,1-3H3,(H,37,44)(H2,36,38,43)/t18-,19-,26-/m0/s1
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| InChIKey |
PCDNLARAOAHRSP-DGUDUIIESA-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