General Information of the Compound
| Compound ID |
CP0377314
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| Compound Name |
1-cyano-2-[[(1S,3S)-3-(1H-imidazol-5-yl)cyclopentyl]methyl]-3-(3-phenylpropyl)guanidine
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| Structure |
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| Formula |
C20H26N6
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| Molecular Weight |
350.47
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| Canonical SMILES |
N#C\N=C(\NCCCc1ccccc1)NC[C@H]1CC[C@@H](C1)c1c[nH]cn1
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| InChI |
InChI=1S/C20H26N6/c21-14-25-20(23-10-4-7-16-5-2-1-3-6-16)24-12-17-8-9-18(11-17)19-13-22-15-26-19/h1-3,5-6,13,15,17-18H,4,7-12H2,(H,22,26)(H2,23,24,25)/t17-,18-/m0/s1
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| InChIKey |
CKOTYYLRRLWBGH-ROUUACIJSA-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: PT01711, Histamine H4 receptor