General Information of the Compound
| Compound ID |
CP0835418
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| Compound Name |
3-(4-((E/Z)-1-(4-Hydroxyphenyl)-2-phenylbut-1-enyl)phenyl)-N-(6-(3-(5-methoxy-1H-benzo(d)imidazol-2-yl)-propanamido)hexyl)acrylamide
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| Structure |
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| Formula |
C42H46N4O4
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| Molecular Weight |
670.854
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| Canonical SMILES |
CCC(=C(c1ccc(O)cc1)c1ccc(/C=C/C(=O)NCCCCCCNC(=O)CCc2nc3cc(OC)ccc3[nH]2)cc1)c1ccccc1
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| InChI |
InChI=1S/C42H46N4O4/c1-3-36(31-11-7-6-8-12-31)42(33-18-20-34(47)21-19-33)32-16-13-30(14-17-32)15-25-40(48)43-27-9-4-5-10-28-44-41(49)26-24-39-45-37-23-22-35(50-2)29-38(37)46-39/h6-8,11-23,25,29,47H,3-5,9-10,24,26-28H2,1-2H3,(H,43,48)(H,44,49)(H,45,46)/b25-15+,42-36?
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| InChIKey |
HQJAAMFRZYIEQD-LKSPLNBLSA-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