General Information of the Compound
| Compound ID |
CP0398553
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| Compound Name |
1-cyano-3-cyclopropyl-2-[[(1S,3S)-3-(1H-imidazol-5-yl)cyclopentyl]methyl]guanidine
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| Structure |
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| Formula |
C14H20N6
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| Molecular Weight |
272.356
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| Canonical SMILES |
N#C\N=C(/NC[C@H]1CC[C@@H](C1)c1c[nH]cn1)NC1CC1
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| InChI |
InChI=1S/C14H20N6/c15-8-18-14(20-12-3-4-12)17-6-10-1-2-11(5-10)13-7-16-9-19-13/h7,9-12H,1-6H2,(H,16,19)(H2,17,18,20)/t10-,11-/m0/s1
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| InChIKey |
ACIIRLLKFPZHTL-QWRGUYRKSA-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: PT01206, Histamine H1 receptor
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor