General Information of the Compound
| Compound ID |
CP0182756
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| Compound Name |
N,N'-bis[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]hexadecanediamide
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| Structure |
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| Formula |
C32H56N10O2S2
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| Molecular Weight |
677.002
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| Canonical SMILES |
Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCCCCCCCCC(=O)NC(=N)NCCCc1sc(N)nc1C
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| InChI |
InChI=1S/C32H56N10O2S2/c1-23-25(45-31(35)39-23)17-15-21-37-29(33)41-27(43)19-13-11-9-7-5-3-4-6-8-10-12-14-20-28(44)42-30(34)38-22-16-18-26-24(2)40-32(36)46-26/h3-22H2,1-2H3,(H2,35,39)(H2,36,40)(H3,33,37,41,43)(H3,34,38,42,44)
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| InChIKey |
OGDYCPQMQHJZLZ-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: PT01357, Histamine H2 receptor
Protein ID: PT02406, Histamine H2 receptor