General Information of the Compound
| Compound ID |
CP0466519
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| Compound Name |
1-[(4-tert-butylphenyl)methyl]-3-[[4-(methanesulfonamidomethyl)phenyl]methyl]thiourea
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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 |
CC(C)(C)c1ccc(CNC(=S)NCc2ccc(CNS(C)(=O)=O)cc2)cc1
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| InChI |
InChI=1S/C21H29N3O2S2/c1-21(2,3)19-11-9-17(10-12-19)14-23-20(27)22-13-16-5-7-18(8-6-16)15-24-28(4,25)26/h5-12,24H,13-15H2,1-4H3,(H2,22,23,27)
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| InChIKey |
KZHZSHDNXOWOPQ-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