General Information of the Compound
| Compound ID |
CP0851237
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| Compound Name |
(+/-)-N-(N-(3-(2-amino-4-methylthiazol-5-yl)propyl)carbamimidoyl)-3-cyclohexylbutanamide
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| Structure |
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| Formula |
C18H31N5OS
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| Molecular Weight |
365.547
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| Canonical SMILES |
Cc1nc(N)sc1CCCNC(=N)NC(=O)CC(C)C1CCCCC1
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| InChI |
InChI=1S/C18H31N5OS/c1-12(14-7-4-3-5-8-14)11-16(24)23-17(19)21-10-6-9-15-13(2)22-18(20)25-15/h12,14H,3-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)
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| InChIKey |
WWEBJYNVUIMDCZ-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: PT01206, Histamine H1 receptor
Protein ID: PT02406, Histamine H2 receptor
Protein ID: PT01357, Histamine H2 receptor
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor