General Information of the Compound
| Compound ID |
CP0384447
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| Compound Name |
N-[3-[[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]amino]-3-oxopropyl]-N-methyl-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C20H25N7O2
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| Molecular Weight |
395.467
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| Canonical SMILES |
CN(CCC(=O)NC(N)=NCCCc1cnc[nH]1)C(=O)c1cc2ccccc2[nH]1
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| InChI |
InChI=1S/C20H25N7O2/c1-27(19(29)17-11-14-5-2-3-7-16(14)25-17)10-8-18(28)26-20(21)23-9-4-6-15-12-22-13-24-15/h2-3,5,7,11-13,25H,4,6,8-10H2,1H3,(H,22,24)(H3,21,23,26,28)
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| InChIKey |
HICAAISICQLQCN-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: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor