General Information of the Compound
| Compound ID |
CP0419813
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| Compound Name |
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(2-phenylbutyl)urea
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| Formula |
C19H28N6OS
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| Molecular Weight |
388.541
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| Canonical SMILES |
CCC(CNC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1
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| InChI |
InChI=1S/C19H28N6OS/c1-3-14(15-8-5-4-6-9-15)12-23-19(26)25-17(20)22-11-7-10-16-13(2)24-18(21)27-16/h4-6,8-9,14H,3,7,10-12H2,1-2H3,(H2,21,24)(H4,20,22,23,25,26)
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| InChIKey |
UGRVOYIHHOLSHQ-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