General Information of the Compound
| Compound ID |
CP0543981
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| Compound Name |
1-(8-aminooctyl)-3-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]urea
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| Structure |
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| Formula |
C16H31N7O
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| Molecular Weight |
337.472
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| Canonical SMILES |
NCCCCCCCCNC(=O)\N=C(/N)NCCCc1c[nH]cn1
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| InChI |
InChI=1S/C16H31N7O/c17-9-5-3-1-2-4-6-10-21-16(24)23-15(18)20-11-7-8-14-12-19-13-22-14/h12-13H,1-11,17H2,(H,19,22)(H4,18,20,21,23,24)
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| InChIKey |
CWXFJRYSAIKEBN-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