General Information of the Compound
| Compound ID |
CP0376708
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| Compound Name |
N'-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-N-[N'-[3-(2-amino-1,3-thiazol-5-yl)propyl]carbamimidoyl]decanediamide
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| Structure |
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| Formula |
C25H42N10O2S2
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| Molecular Weight |
578.813
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| Canonical SMILES |
Cc1nc(N)sc1CCCN=C(N)NC(=O)CCCCCCCCC(=O)NC(N)=NCCCc1cnc(N)s1
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| InChI |
InChI=1S/C25H42N10O2S2/c1-17-19(39-25(29)33-17)11-9-15-31-23(27)35-21(37)13-7-5-3-2-4-6-12-20(36)34-22(26)30-14-8-10-18-16-32-24(28)38-18/h16H,2-15H2,1H3,(H2,28,32)(H2,29,33)(H3,26,30,34,36)(H3,27,31,35,37)
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| InChIKey |
HYXYTRGSUZNOIN-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