General Information of the Compound
| Compound ID |
CP0884586
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| Compound Name |
SID87218860
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| Structure |
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| Formula |
C36H40FN3O6S
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| Molecular Weight |
661.796
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| Canonical SMILES |
C[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C36H40FN3O6S/c1-25-21-40(26(2)24-41)36(42)20-28-19-30(38-47(43,44)33-16-11-29(37)12-17-33)13-18-34(28)46-35(25)23-39(3)22-27-9-14-32(15-10-27)45-31-7-5-4-6-8-31/h4-19,25-26,35,38,41H,20-24H2,1-3H3/t25-,26+,35+/m1/s1
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| InChIKey |
XVJMWCXMALPRRA-AWYDNWMNSA-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