General Information of the Compound
| Compound ID |
CP0949294
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| Compound Name |
N-[4-(2-{4-[(2-Amino-1H-imidazol-4-yl)ethyl]phenyl}ethyl)thiazol-2-yl]acetamide hydrochloride
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| Structure |
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| Formula |
C18H22ClN5OS
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| Molecular Weight |
391.928
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| Canonical SMILES |
CC(=O)Nc1nc(CCc2ccc(CCc3c[nH]c(N)n3)cc2)cs1.Cl
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| InChI |
InChI=1S/C18H21N5OS.ClH/c1-12(24)21-18-23-16(11-25-18)9-7-14-4-2-13(3-5-14)6-8-15-10-20-17(19)22-15;/h2-5,10-11H,6-9H2,1H3,(H3,19,20,22)(H,21,23,24);1H
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| InChIKey |
XJJOUTSZDUKCFW-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: PT03817, Membrane primary amine oxidase
Protein ID: PT02562, Membrane primary amine oxidase