General Information of the Compound
| Compound ID |
CP0444218
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| Compound Name |
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-[1-(3-fluorophenyl)ethyl]urea
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| Formula |
C17H23FN6OS
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| Molecular Weight |
378.477
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| Canonical SMILES |
CC(NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1cccc(F)c1
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| InChI |
InChI=1S/C17H23FN6OS/c1-10(12-5-3-6-13(18)9-12)23-17(25)24-15(19)21-8-4-7-14-11(2)22-16(20)26-14/h3,5-6,9-10H,4,7-8H2,1-2H3,(H2,20,22)(H4,19,21,23,24,25)
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| InChIKey |
FFKSIHLRCNTALR-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