General Information of the Compound
| Compound ID |
CP0427939
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| Compound Name |
3-(4-methoxyphenyl)-5-methyl-N-[N'-(naphthalen-1-ylmethyl)carbamimidoyl]-1,2-thiazole-4-carboxamide
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| Structure |
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| Formula |
C24H22N4O2S
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| Molecular Weight |
430.533
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| Canonical SMILES |
COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cccc2ccccc12
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| InChI |
InChI=1S/C24H22N4O2S/c1-15-21(22(28-31-15)17-10-12-19(30-2)13-11-17)23(29)27-24(25)26-14-18-8-5-7-16-6-3-4-9-20(16)18/h3-13H,14H2,1-2H3,(H3,25,26,27,29)
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| InChIKey |
MJZGXDBYLRQKRG-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