General Information of the Compound
| Compound ID |
CP0424971
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| Compound Name |
N-[3-[[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]amino]-3-oxopropyl]-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C19H23N7O2
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| Molecular Weight |
381.44
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| Canonical SMILES |
NC(NC(=O)CCNC(=O)c1cc2ccccc2[nH]1)=NCCCc1cnc[nH]1
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| InChI |
InChI=1S/C19H23N7O2/c20-19(23-8-3-5-14-11-21-12-24-14)26-17(27)7-9-22-18(28)16-10-13-4-1-2-6-15(13)25-16/h1-2,4,6,10-12,25H,3,5,7-9H2,(H,21,24)(H,22,28)(H3,20,23,26,27)
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| InChIKey |
GKMDOAPQOLIJEW-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