General Information of the Compound
| Compound ID |
CP0544456
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| Compound Name |
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-[7-[4-[(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dienyl]-2,6-dimethylpyridin-1-ium-1-yl]heptyl]urea
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| Structure |
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| Formula |
C35H51N8OS+
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| Molecular Weight |
631.915
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| Canonical SMILES |
CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCCCCCCNC(=O)\N=C(/N)NCCCc3sc(N)nc3C)c(C)c2)cc1
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| InChI |
InChI=1S/C35H50N8OS/c1-26-24-30(15-10-9-14-29-17-19-31(20-18-29)42(4)5)25-27(2)43(26)23-12-8-6-7-11-21-39-35(44)41-33(36)38-22-13-16-32-28(3)40-34(37)45-32/h9-10,14-15,17-20,24-25H,6-8,11-13,16,21-23H2,1-5H3,(H5-,36,37,38,39,40,41,44)/p+1
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| InChIKey |
PDHFZEZAJWAERC-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