General Information of the Compound
| Compound ID |
CP0421643
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| Compound Name |
[N-[2-(1H-imidazol-5-yl)ethyl]-N'-(3-phenylpropyl)carbamimidoyl]urea
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| Structure |
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| Formula |
C16H22N6O
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| Molecular Weight |
314.393
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| Canonical SMILES |
NC(=O)NC(NCCCc1ccccc1)=NCCc1cnc[nH]1
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| InChI |
InChI=1S/C16H22N6O/c17-15(23)22-16(20-10-8-14-11-18-12-21-14)19-9-4-7-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-10H2,(H,18,21)(H4,17,19,20,22,23)
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| InChIKey |
INJHTQJNDUHTDR-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