General Information of the Compound
| Compound ID |
CP0407471
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| Compound Name |
3-[(4-tert-butylphenyl)methyl]-1-[(1R)-1-(4-methanesulfonamidophenyl)ethyl]thiourea
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| Synonyms |
(R)-N-(4-(1-(3-(4-tert-butylbenzyl)thioureido)ethyl)phenyl)methanesulfonamide
ATC-120
BDBM20317
BDBM50142759
CHEMBL412885
N-(4-tert-butylbenzyl)-N''-{(1R)-1-[4-(methylsulfonylamino)phenyl]ethyl}thiourea
N-(4-{(R)-1-[3-(4-tert-Butyl-benzyl)-thioureido]-ethyl}-phenyl)-methanesulfonamide
SCHEMBL5947715
ZINC14973328
thiourea analogue, 14
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| Structure |
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| Formula |
C21H29N3O2S2
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| Molecular Weight |
419.616
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| Canonical SMILES |
C[C@@H](NC(=S)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)cc1
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| InChI |
InChI=1S/C21H29N3O2S2/c1-15(17-8-12-19(13-9-17)24-28(5,25)26)23-20(27)22-14-16-6-10-18(11-7-16)21(2,3)4/h6-13,15,24H,14H2,1-5H3,(H2,22,23,27)/t15-/m1/s1
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| InChIKey |
MRGDOZGZFFCDRJ-OAHLLOKOSA-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