General Information of the Compound
| Compound ID |
CP0423463
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| Compound Name |
1-[N'-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)carbamimidoyl]-3-hexylurea
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| Formula |
C15H26N6OS
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| Molecular Weight |
338.481
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| Canonical SMILES |
CCCCCCNC(=O)\N=C(/N)NC1CCc2nc(N)sc2C1
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| InChI |
InChI=1S/C15H26N6OS/c1-2-3-4-5-8-18-15(22)21-13(16)19-10-6-7-11-12(9-10)23-14(17)20-11/h10H,2-9H2,1H3,(H2,17,20)(H4,16,18,19,21,22)
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| InChIKey |
FZTHGRYFMPGYHV-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