General Information of the Compound
| Compound ID |
CP0543979
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| Compound Name |
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-[10-[4-[(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dienyl]-2,6-dimethylpyridin-1-ium-1-yl]decyl]urea
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| Structure |
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| Formula |
C38H57N8OS+
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| Molecular Weight |
673.996
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| Canonical SMILES |
CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCCCCCCCCCNC(=O)\N=C(/N)NCCCc3sc(N)nc3C)c(C)c2)cc1
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| InChI |
InChI=1S/C38H56N8OS/c1-29-27-33(18-13-12-17-32-20-22-34(23-21-32)45(4)5)28-30(2)46(29)26-15-11-9-7-6-8-10-14-24-42-38(47)44-36(39)41-25-16-19-35-31(3)43-37(40)48-35/h12-13,17-18,20-23,27-28H,6-11,14-16,19,24-26H2,1-5H3,(H5-,39,40,41,42,43,44,47)/p+1
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| InChIKey |
HJGFOCHMELDHHX-UHFFFAOYSA-O
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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