General Information of the Compound
| Compound ID |
CP0464439
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| Compound Name |
3-[(4-tert-butylphenyl)methyl]-1-[2-(4-methanesulfonamido-3-methoxyphenyl)propan-2-yl]thiourea
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| Structure |
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| Formula |
C23H33N3O3S2
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| Molecular Weight |
463.669
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| Canonical SMILES |
COc1cc(ccc1NS(C)(=O)=O)C(C)(C)NC(=S)NCc1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C23H33N3O3S2/c1-22(2,3)17-10-8-16(9-11-17)15-24-21(30)25-23(4,5)18-12-13-19(20(14-18)29-6)26-31(7,27)28/h8-14,26H,15H2,1-7H3,(H2,24,25,30)
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| InChIKey |
PTLGVGAYBQPZMG-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