General Information of the Compound
| Compound ID |
CP0874969
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| Compound Name |
SID85802667
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| Structure |
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| Formula |
C32H34F3N5O7
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| Molecular Weight |
657.646
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| Canonical SMILES |
C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2O[C@@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1
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| InChI |
InChI=1S/C32H34F3N5O7/c1-18-14-40(19(2)16-41)29(42)24-12-22(36-30(43)37-23-9-11-26-27(13-23)46-17-45-26)8-10-25(24)47-28(18)15-39(3)31(44)38-21-6-4-20(5-7-21)32(33,34)35/h4-13,18-19,28,41H,14-17H2,1-3H3,(H,38,44)(H2,36,37,43)/t18-,19+,28-/m1/s1
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| InChIKey |
HNRZQRBOVLPGCP-FSQFJQELSA-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