General Information of the Compound
| Compound ID |
CP0835419
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| Compound Name |
(E)-N-[5-(3-(5-Hydroxy-1H-benzo[d]imidazol-2-yl)-propanamido)pentyl]-3-[4-((E/Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl)phenyl]acrylamide
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| Structure |
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| Formula |
C40H42N4O4
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| Molecular Weight |
642.8
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| Canonical SMILES |
CCC(=C(c1ccc(O)cc1)c1ccc(/C=C/C(=O)NCCCCCNC(=O)CCc2nc3cc(O)ccc3[nH]2)cc1)c1ccccc1
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| InChI |
InChI=1S/C40H42N4O4/c1-2-34(29-9-5-3-6-10-29)40(31-16-18-32(45)19-17-31)30-14-11-28(12-15-30)13-23-38(47)41-25-7-4-8-26-42-39(48)24-22-37-43-35-21-20-33(46)27-36(35)44-37/h3,5-6,9-21,23,27,45-46H,2,4,7-8,22,24-26H2,1H3,(H,41,47)(H,42,48)(H,43,44)/b23-13+,40-34?
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| InChIKey |
LQSBLCJRMGSWBZ-XVJUZEHKSA-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