General Information of the Compound
| Compound ID |
CP0833945
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| Compound Name |
N-[3-(3-(5-Hydroxy-1H-benzo[d]imidazol-2-yl)-propanamido)propyl]-3-[4-((E/Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl)phenyl]acrylamide
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| Structure |
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| Formula |
C38H38N4O4
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| Molecular Weight |
614.746
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| Canonical SMILES |
CCC(=C(c1ccc(O)cc1)c1ccc(/C=C/C(=O)NCCCNC(=O)CCc2nc3cc(O)ccc3[nH]2)cc1)c1ccccc1
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| InChI |
InChI=1S/C38H38N4O4/c1-2-32(27-7-4-3-5-8-27)38(29-14-16-30(43)17-15-29)28-12-9-26(10-13-28)11-21-36(45)39-23-6-24-40-37(46)22-20-35-41-33-19-18-31(44)25-34(33)42-35/h3-5,7-19,21,25,43-44H,2,6,20,22-24H2,1H3,(H,39,45)(H,40,46)(H,41,42)/b21-11+,38-32?
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| InChIKey |
KIOKWXMEYJCARW-HFVQNJLVSA-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