General Information of the Compound
| Compound ID |
CP0382899
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| Compound Name |
1-cyano-2-[[(1S,3S)-3-(1H-imidazol-5-yl)cyclopentyl]methyl]-3-(2-phenylsulfanylethyl)guanidine
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| Structure |
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| Formula |
C19H24N6S
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| Molecular Weight |
368.51
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| Canonical SMILES |
N#C\N=C(\NCCSc1ccccc1)NC[C@H]1CC[C@@H](C1)c1c[nH]cn1
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| InChI |
InChI=1S/C19H24N6S/c20-13-24-19(22-8-9-26-17-4-2-1-3-5-17)23-11-15-6-7-16(10-15)18-12-21-14-25-18/h1-5,12,14-16H,6-11H2,(H,21,25)(H2,22,23,24)/t15-,16-/m0/s1
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| InChIKey |
MMZLYDNVAYWZLR-HOTGVXAUSA-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
Protein ID: PT04730, Histamine H4 receptor