General Information of the Compound
| Compound ID |
CP0371057
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| Compound Name |
1-(biphenyl-3-ylmethyl)-3-isopropyl-1-(3-(phenylethynyl)benzyl)urea
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| Structure |
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| Formula |
C32H30N2O
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| Molecular Weight |
458.605
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| Canonical SMILES |
CC(C)NC(=O)N(Cc1cccc(c1)C#Cc1ccccc1)Cc1cccc(c1)-c1ccccc1
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| InChI |
InChI=1S/C32H30N2O/c1-25(2)33-32(35)34(24-29-15-10-18-31(22-29)30-16-7-4-8-17-30)23-28-14-9-13-27(21-28)20-19-26-11-5-3-6-12-26/h3-18,21-22,25H,23-24H2,1-2H3,(H,33,35)
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| InChIKey |
PGEQNCIUHQEDRK-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