General Information of the Compound
| Compound ID |
CP0932580
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| Compound Name |
(E)-2-Phenyl-ethenesulfonic acid (2-dimethylamino-ethyl)-[4'-(phenethylamino-methyl)-biphenyl-4-ylmethyl]-amide TFA
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| Structure |
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| Formula |
C36H40F3N3O4S
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| Molecular Weight |
667.794
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| Canonical SMILES |
CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)S(=O)(=O)/C=C/c1ccccc1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C34H39N3O2S.C2HF3O2/c1-36(2)24-25-37(40(38,39)26-22-30-11-7-4-8-12-30)28-32-15-19-34(20-16-32)33-17-13-31(14-18-33)27-35-23-21-29-9-5-3-6-10-29;3-2(4,5)1(6)7/h3-20,22,26,35H,21,23-25,27-28H2,1-2H3;(H,6,7)/b26-22+;
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| InChIKey |
AHFZKVQLXINPHE-LIUXSCBKSA-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