General Information of the Compound
| Compound ID |
CP0905181
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| Compound Name |
SID87540264
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| Structure |
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| Formula |
C39H47FN4O7S
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| Molecular Weight |
734.891
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| Canonical SMILES |
C[C@@H]1CCCCO[C@@H](CN(C)C(=O)Nc2cccc3ccccc23)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2O1
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| InChI |
InChI=1S/C39H47FN4O7S/c1-26-23-44(27(2)25-45)38(46)34-22-31(42-52(48,49)32-18-15-30(40)16-19-32)17-20-36(34)51-28(3)10-7-8-21-50-37(26)24-43(4)39(47)41-35-14-9-12-29-11-5-6-13-33(29)35/h5-6,9,11-20,22,26-28,37,42,45H,7-8,10,21,23-25H2,1-4H3,(H,41,47)/t26-,27-,28-,37+/m1/s1
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| InChIKey |
HLACSLXCJWOJFV-XCYPXZQJSA-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