General Information of the Compound
| Compound ID |
CP0543296
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| Compound Name |
1-[(1R)-1-phenylethyl]-3-[N'-[3-(1H-1,2,4-triazol-5-yl)propyl]carbamimidoyl]urea;dihydrochloride
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| Structure |
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| Formula |
C15H23Cl2N7O
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| Molecular Weight |
388.303
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| Canonical SMILES |
Cl.Cl.C[C@@H](NC(=O)\N=C(/N)NCCCc1ncn[nH]1)c1ccccc1
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| InChI |
InChI=1S/C15H21N7O.2ClH/c1-11(12-6-3-2-4-7-12)20-15(23)21-14(16)17-9-5-8-13-18-10-19-22-13;;/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,18,19,22)(H4,16,17,20,21,23);2*1H/t11-;;/m1../s1
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| InChIKey |
XRYVFZXIDAULKH-NVJADKKVSA-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor
Protein ID: PT02406, Histamine H2 receptor
Protein ID: PT01357, Histamine H2 receptor
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5