General Information of the Compound
| Compound ID |
CP0487042
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| Compound Name |
2-[(E)-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]guanidine;hydrochloride
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| Structure |
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| Formula |
C13H12ClF3N4O
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| Molecular Weight |
332.713
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| Canonical SMILES |
Cl.NC(=N)N\N=C\c1ccc(o1)-c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C13H11F3N4O.ClH/c14-13(15,16)10-4-2-1-3-9(10)11-6-5-8(21-11)7-19-20-12(17)18;/h1-7H,(H4,17,18,20);1H/b19-7+;
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| InChIKey |
PERQEXSBEQMUKF-YRQQTYEQSA-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: PT04406, Neuropeptide FF receptor 1
Protein ID: PT02666, Neuropeptide FF receptor 2