General Information of the Compound
| Compound ID |
CP0444217
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| Compound Name |
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-[1-(furan-2-yl)ethyl]urea
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| Formula |
C15H22N6O2S
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| Molecular Weight |
350.448
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| Canonical SMILES |
CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccco1
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| InChI |
InChI=1S/C15H22N6O2S/c1-9(11-5-4-8-23-11)20-15(22)21-13(16)18-7-3-6-12-10(2)19-14(17)24-12/h4-5,8-9H,3,6-7H2,1-2H3,(H2,17,19)(H4,16,18,20,21,22)
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| InChIKey |
MZDWSPIRGJHBII-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