General Information of the Compound
| Compound ID |
CP0960446
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| Compound Name |
N-(2-(3-(5-Hydroxy-1H-benzo(d)imidazol-2-yl)-propanamido)ethyl)-3-(4-((E/Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl)phenyl)acrylamide
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| Structure |
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| Formula |
C37H36N4O4
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| Molecular Weight |
600.719
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| Canonical SMILES |
CCC(=C(c1ccc(O)cc1)c1ccc(/C=C/C(=O)NCCNC(=O)CCc2nc3cc(O)ccc3[nH]2)cc1)c1ccccc1
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| InChI |
InChI=1S/C37H36N4O4/c1-2-31(26-6-4-3-5-7-26)37(28-13-15-29(42)16-14-28)27-11-8-25(9-12-27)10-20-35(44)38-22-23-39-36(45)21-19-34-40-32-18-17-30(43)24-33(32)41-34/h3-18,20,24,42-43H,2,19,21-23H2,1H3,(H,38,44)(H,39,45)(H,40,41)/b20-10+,37-31?
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| InChIKey |
IVHCVBOXKQRVDP-BAATXBEPSA-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