General Information of the Compound
| Compound ID |
CP0531530
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| Compound Name |
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-benzylurea
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| Formula |
C16H22N6OS
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| Molecular Weight |
346.46
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| Canonical SMILES |
Cc1nc(N)sc1CCCN\C(N)=N\C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C16H22N6OS/c1-11-13(24-15(18)21-11)8-5-9-19-14(17)22-16(23)20-10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3,(H2,18,21)(H4,17,19,20,22,23)
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| InChIKey |
VFGWQQNKIVMZLG-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