General Information of the Compound
| Compound ID |
CP0410302
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| Compound Name |
3-[(4-tert-butylphenyl)methyl]-1-[(4-methanesulfonamidophenyl)methyl]thiourea
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| Synonyms |
BDBM20315
CHEMBL228451
KJM429
MK-056
N-(4-t-butylbenzyl)-N'-[4-(methyl-sulfonylamino)benzyl]thiourea
SCHEMBL1268701
thiourea analogue, 1
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| Structure |
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| Formula |
C20H27N3O2S2
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| Molecular Weight |
405.589
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| Canonical SMILES |
CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)cc1
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| InChI |
InChI=1S/C20H27N3O2S2/c1-20(2,3)17-9-5-15(6-10-17)13-21-19(26)22-14-16-7-11-18(12-8-16)23-27(4,24)25/h5-12,23H,13-14H2,1-4H3,(H2,21,22,26)
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| InChIKey |
LOMAEJPLJSUBML-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
Clinical Information about the Compound