General Information of the Compound
| Compound ID |
CP0443639
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| Compound Name |
N,N'-bis[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]dodecanediamide
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| Structure |
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| Formula |
C28H48N10O2S2
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| Molecular Weight |
620.894
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| Canonical SMILES |
Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCCCCC(=O)NC(=N)NCCCc1sc(N)nc1C
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| InChI |
InChI=1S/C28H48N10O2S2/c1-19-21(41-27(31)35-19)13-11-17-33-25(29)37-23(39)15-9-7-5-3-4-6-8-10-16-24(40)38-26(30)34-18-12-14-22-20(2)36-28(32)42-22/h3-18H2,1-2H3,(H2,31,35)(H2,32,36)(H3,29,33,37,39)(H3,30,34,38,40)
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| InChIKey |
SXTZAGJEUUYPRC-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: PT02406, Histamine H2 receptor
Protein ID: PT01357, Histamine H2 receptor