General Information of the Compound
| Compound ID |
CP0885695
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| Compound Name |
SID85807677
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| Structure |
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| Formula |
C32H33F6N5O5
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| Molecular Weight |
681.634
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| Canonical SMILES |
C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O[C@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1
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| InChI |
InChI=1S/C32H33F6N5O5/c1-18-15-43(19(2)17-44)28(45)25-14-24(40-29(46)39-22-8-4-20(5-9-22)31(33,34)35)12-13-26(25)48-27(18)16-42(3)30(47)41-23-10-6-21(7-11-23)32(36,37)38/h4-14,18-19,27,44H,15-17H2,1-3H3,(H,41,47)(H2,39,40,46)/t18-,19+,27+/m1/s1
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| InChIKey |
NZDLKZQOKBFHNU-RYTUXRKISA-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