General Information of the Compound
| Compound ID |
CP0470833
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| Compound Name |
N-(1H-benzimidazol-2-ylmethyl)-2-[(1S,2R)-2-(1H-imidazol-5-yl)cyclopropyl]ethanamine
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| Structure |
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| Formula |
C16H19N5
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| Molecular Weight |
281.363
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| Canonical SMILES |
C(C[C@@H]1C[C@H]1c1c[nH]cn1)NCc1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C16H19N5/c1-2-4-14-13(3-1)20-16(21-14)9-17-6-5-11-7-12(11)15-8-18-10-19-15/h1-4,8,10-12,17H,5-7,9H2,(H,18,19)(H,20,21)/t11-,12-/m1/s1
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| InChIKey |
HZJHXNKBUJZZBB-VXGBXAGGSA-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: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor