General Information of the Compound
| Compound ID |
CP0550064
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| Compound Name |
1-[N'-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]carbamimidoyl]-3-[(1R)-1-phenylethyl]urea;dihydrochloride
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| Structure |
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| Formula |
C15H23Cl2N7OS
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| Molecular Weight |
420.37
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| Canonical SMILES |
Cl.Cl.C[C@@H](NC(=O)\N=C(/N)NCCCc1nnc(N)s1)c1ccccc1
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| InChI |
InChI=1S/C15H21N7OS.2ClH/c1-10(11-6-3-2-4-7-11)19-15(23)20-13(16)18-9-5-8-12-21-22-14(17)24-12;;/h2-4,6-7,10H,5,8-9H2,1H3,(H2,17,22)(H4,16,18,19,20,23);2*1H/t10-;;/m1../s1
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| InChIKey |
YQZTUEBEBYMUAM-YQFADDPSSA-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
Protein ID: PT02406, Histamine H2 receptor