General Information of the Compound
| Compound ID |
CP0444214
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| Compound Name |
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-[(1R)-1-phenylethyl]urea
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| Formula |
C17H24N6OS
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| Molecular Weight |
360.487
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| Canonical SMILES |
C[C@@H](NC(=O)\N=C(/N)NCCCc1sc(N)nc1C)c1ccccc1
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| InChI |
InChI=1S/C17H24N6OS/c1-11(13-7-4-3-5-8-13)22-17(24)23-15(18)20-10-6-9-14-12(2)21-16(19)25-14/h3-5,7-8,11H,6,9-10H2,1-2H3,(H2,19,21)(H4,18,20,22,23,24)/t11-/m1/s1
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| InChIKey |
QTIAXUAWMLBIGP-LLVKDONJSA-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