General Information of the Compound
| Compound ID |
CP0404614
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| Compound Name |
1-[(4-tert-butylphenyl)methyl]-1-hydroxy-3-[[4-(methanesulfonamido)-3-nitrophenyl]methyl]thiourea
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| Structure |
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| Formula |
C20H26N4O5S2
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| Molecular Weight |
466.585
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| Canonical SMILES |
CC(C)(C)c1ccc(CN(O)C(=[SH+])[N-]Cc2ccc(NS(C)(=O)=O)c(c2)[N+]([O-])=O)cc1
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| InChI |
InChI=1S/C20H26N4O5S2/c1-20(2,3)16-8-5-14(6-9-16)13-23(25)19(30)21-12-15-7-10-17(22-31(4,28)29)18(11-15)24(26)27/h5-11,22,25H,12-13H2,1-4H3,(H,21,30)
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| InChIKey |
DSMHVKTWZARQQJ-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