General Information of the Compound
| Compound ID |
CP0944381
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| Compound Name |
(E/Z)-N-[6-(3-(5-Hydroxy-1H-benzo[d]imidazol-2-yl)-propanamido)hexyl]-3-[4-((E/Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl)phenyl]acrylamide
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| Structure |
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| Formula |
C41H44N4O4
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| Molecular Weight |
656.827
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| Canonical SMILES |
CCC(=C(c1ccc(O)cc1)c1ccc(/C=C/C(=O)NCCCCCCNC(=O)CCc2nc3cc(O)ccc3[nH]2)cc1)c1ccccc1
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| InChI |
InChI=1S/C41H44N4O4/c1-2-35(30-10-6-5-7-11-30)41(32-17-19-33(46)20-18-32)31-15-12-29(13-16-31)14-24-39(48)42-26-8-3-4-9-27-43-40(49)25-23-38-44-36-22-21-34(47)28-37(36)45-38/h5-7,10-22,24,28,46-47H,2-4,8-9,23,25-27H2,1H3,(H,42,48)(H,43,49)(H,44,45)/b24-14+,41-35?
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| InChIKey |
RYROWLBSDZLXGM-MBYNOQGMSA-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