General Information of the Compound
| Compound ID |
CP0423431
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| Compound Name |
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-hexylurea
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| Formula |
C15H28N6OS
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| Molecular Weight |
340.497
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| Canonical SMILES |
CCCCCCNC(=O)\N=C(/N)NCCCc1sc(N)nc1C
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| InChI |
InChI=1S/C15H28N6OS/c1-3-4-5-6-9-19-15(22)21-13(16)18-10-7-8-12-11(2)20-14(17)23-12/h3-10H2,1-2H3,(H2,17,20)(H4,16,18,19,21,22)
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| InChIKey |
CKIPXVNSJRXNTQ-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
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01357, Histamine H2 receptor