General Information of the Compound
| Compound ID |
CP0770059
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| Compound Name |
N-(4-(3-(5-Hydroxy-1H-benzo(d)imidazol-2-yl)-propanamido)butyl)-3-(4-((E/Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl)phenyl)acrylamide
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| Structure |
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| Formula |
C39H40N4O4
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| Molecular Weight |
628.773
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| Canonical SMILES |
CCC(=C(c1ccc(O)cc1)c1ccc(/C=C/C(=O)NCCCCNC(=O)CCc2nc3cc(O)ccc3[nH]2)cc1)c1ccccc1
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| InChI |
InChI=1S/C39H40N4O4/c1-2-33(28-8-4-3-5-9-28)39(30-15-17-31(44)18-16-30)29-13-10-27(11-14-29)12-22-37(46)40-24-6-7-25-41-38(47)23-21-36-42-34-20-19-32(45)26-35(34)43-36/h3-5,8-20,22,26,44-45H,2,6-7,21,23-25H2,1H3,(H,40,46)(H,41,47)(H,42,43)/b22-12+,39-33?
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| InChIKey |
LKZVBTPPXXQRKO-IBOCXZHFSA-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