General Information of the Compound
| Compound ID |
CP0823737
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| Compound Name |
SID50106398
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| Structure |
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| Formula |
C5H11Cl2N3
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| Molecular Weight |
184.07
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| Canonical SMILES |
Cl.Cl.NCCc1c[nH]cn1
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| InChI |
InChI=1S/C5H9N3.2ClH/c6-2-1-5-3-7-4-8-5;;/h3-4H,1-2,6H2,(H,7,8);2*1H
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| InChIKey |
PPZMYIBUHIPZOS-UHFFFAOYSA-N
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| CAS |
56-92-8
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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: PT02406, Histamine H2 receptor
Protein ID: PT01357, Histamine H2 receptor
Protein ID: PT01194, Histamine H3 receptor
Cell-based Assay
Protein ID: PT01711, Histamine H4 receptor
Cell-based Assay
Protein ID: PT04730, Histamine H4 receptor
Cell-based Assay