General Information of the Compound
| Compound ID |
CP0439079
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| Compound Name |
[N'-[3-(1H-imidazol-5-yl)propyl]-N-(4-phenylbutyl)carbamimidoyl]urea
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| Structure |
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| Formula |
C18H26N6O
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| Molecular Weight |
342.447
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| Canonical SMILES |
NC(=O)NC(NCCCCc1ccccc1)=NCCCc1cnc[nH]1
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| InChI |
InChI=1S/C18H26N6O/c19-17(25)24-18(22-12-6-10-16-13-20-14-23-16)21-11-5-4-9-15-7-2-1-3-8-15/h1-3,7-8,13-14H,4-6,9-12H2,(H,20,23)(H4,19,21,22,24,25)
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| InChIKey |
BIXSTJUYDSCGLQ-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