General Information of the Compound
| Compound ID |
CP0387498
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| Compound Name |
N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-(1H-indol-3-yl)propanamide
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| Structure |
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| Formula |
C18H22N6O
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| Molecular Weight |
338.415
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| Canonical SMILES |
NC(NC(=O)CCc1c[nH]c2ccccc12)=NCCCc1cnc[nH]1
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| InChI |
InChI=1S/C18H22N6O/c19-18(21-9-3-4-14-11-20-12-23-14)24-17(25)8-7-13-10-22-16-6-2-1-5-15(13)16/h1-2,5-6,10-12,22H,3-4,7-9H2,(H,20,23)(H3,19,21,24,25)
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| InChIKey |
UZGNSWKIWQZYQQ-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: PT01357, Histamine H2 receptor
Protein ID: PT01711, Histamine H4 receptor