General Information of the Compound
| Compound ID |
CP0911095
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| Compound Name |
(E)-N-[2-(3-Methoxy-phenyl)-ethyl]-N-[4'-(phenethylamino-methyl)-biphenyl-4-ylmethyl]-3-phenyl-acrylamide TFA
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| Structure |
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| Formula |
C42H41F3N2O4
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| Molecular Weight |
694.794
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| Canonical SMILES |
COc1cccc(CCN(Cc2ccc(-c3ccc(CNCCc4ccccc4)cc3)cc2)C(=O)/C=C/c2ccccc2)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C40H40N2O2.C2HF3O2/c1-44-39-14-8-13-34(29-39)26-28-42(40(43)24-19-32-9-4-2-5-10-32)31-36-17-22-38(23-18-36)37-20-15-35(16-21-37)30-41-27-25-33-11-6-3-7-12-33;3-2(4,5)1(6)7/h2-24,29,41H,25-28,30-31H2,1H3;(H,6,7)/b24-19+;
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| InChIKey |
NRKBHPFWAFHWET-UUWMJBOLSA-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