General Information of the Compound
| Compound ID |
CP0288197
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| Compound Name |
3-isopropyl-1-(3-(phenylethynyl)benzyl)-1-((5-(phenylethynyl)pyridin-3-yl)methyl)urea
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| Structure |
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| Formula |
C33H29N3O
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| Molecular Weight |
483.615
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| Canonical SMILES |
CC(C)NC(=O)N(Cc1cccc(c1)C#Cc1ccccc1)Cc1cncc(c1)C#Cc1ccccc1
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| InChI |
InChI=1S/C33H29N3O/c1-26(2)35-33(37)36(24-31-15-9-14-29(20-31)18-16-27-10-5-3-6-11-27)25-32-21-30(22-34-23-32)19-17-28-12-7-4-8-13-28/h3-15,20-23,26H,24-25H2,1-2H3,(H,35,37)
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| InChIKey |
DLJMVQOEPKPLGP-UHFFFAOYSA-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