General Information of the Compound
| Compound ID |
CP0445902
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| Compound Name |
N-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-phenylpropanamide
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| Structure |
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| Formula |
C17H23N5OS
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| Molecular Weight |
345.472
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| Canonical SMILES |
Cc1nc(N)sc1CCCN=C(N)NC(=O)CCc1ccccc1
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| InChI |
InChI=1S/C17H23N5OS/c1-12-14(24-17(19)21-12)8-5-11-20-16(18)22-15(23)10-9-13-6-3-2-4-7-13/h2-4,6-7H,5,8-11H2,1H3,(H2,19,21)(H3,18,20,22,23)
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| InChIKey |
XGVWNOKCOMYVSW-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: PT02406, Histamine H2 receptor
Protein ID: PT01357, Histamine H2 receptor