General Information of the Compound
| Compound ID |
CP0543298
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| Compound Name |
1-[N'-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]carbamimidoyl]-3-[1-(3-fluorophenyl)ethyl]urea;dihydrochloride
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| Structure |
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| Formula |
C15H22Cl2FN7OS
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| Molecular Weight |
438.36
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| Canonical SMILES |
Cl.Cl.CC(NC(=O)\N=C(/N)NCCCc1nnc(N)s1)c1cccc(F)c1
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| InChI |
InChI=1S/C15H20FN7OS.2ClH/c1-9(10-4-2-5-11(16)8-10)20-15(24)21-13(17)19-7-3-6-12-22-23-14(18)25-12;;/h2,4-5,8-9H,3,6-7H2,1H3,(H2,18,23)(H4,17,19,20,21,24);2*1H
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| InChIKey |
ZPOWERYUAHMBNR-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: PT02406, Histamine H2 receptor
Protein ID: PT01357, Histamine H2 receptor