General Information of the Compound
| Compound ID |
CP0182758
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| Compound Name |
N,N'-bis[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]hexanediamide
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| Structure |
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| Formula |
C22H36N10O2S2
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| Molecular Weight |
536.732
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| Canonical SMILES |
Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCC(=O)NC(=N)NCCCc1sc(N)nc1C
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| InChI |
InChI=1S/C22H36N10O2S2/c1-13-15(35-21(25)29-13)7-5-11-27-19(23)31-17(33)9-3-4-10-18(34)32-20(24)28-12-6-8-16-14(2)30-22(26)36-16/h3-12H2,1-2H3,(H2,25,29)(H2,26,30)(H3,23,27,31,33)(H3,24,28,32,34)
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| InChIKey |
KQNBLEJTQJSXMZ-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