General Information of the Compound
| Compound ID |
CP0435519
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| Compound Name |
N,N'-bis[N'-[3-(2-amino-1,3-thiazol-5-yl)propyl]carbamimidoyl]hexadecanediamide
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| Structure |
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| Formula |
C30H52N10O2S2
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| Molecular Weight |
648.948
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| Canonical SMILES |
Nc1ncc(CCCNC(=N)NC(=O)CCCCCCCCCCCCCCC(=O)NC(=N)NCCCc2cnc(N)s2)s1
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| InChI |
InChI=1S/C30H52N10O2S2/c31-27(35-19-13-15-23-21-37-29(33)43-23)39-25(41)17-11-9-7-5-3-1-2-4-6-8-10-12-18-26(42)40-28(32)36-20-14-16-24-22-38-30(34)44-24/h21-22H,1-20H2,(H2,33,37)(H2,34,38)(H3,31,35,39,41)(H3,32,36,40,42)
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| InChIKey |
ZALMMYYKSMXEKE-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