General Information of the Compound
| Compound ID |
CP0292244
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| Compound Name |
tert-butyl N-[N-benzyl-N-[[3-(2-phenylethynyl)phenyl]methyl]-N'-propan-2-ylcarbamimidoyl]carbamate
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| Structure |
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| Formula |
C31H35N3O2
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| Molecular Weight |
481.64
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| Canonical SMILES |
CC(C)NC(=NC(=O)OC(C)(C)C)N(Cc1ccccc1)Cc1cccc(c1)C#Cc1ccccc1
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| InChI |
InChI=1S/C31H35N3O2/c1-24(2)32-29(33-30(35)36-31(3,4)5)34(22-27-15-10-7-11-16-27)23-28-18-12-17-26(21-28)20-19-25-13-8-6-9-14-25/h6-18,21,24H,22-23H2,1-5H3,(H,32,33,35)
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| InChIKey |
GGZILFHANTWWMM-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