General Information of the Compound
| Compound ID |
CP0486050
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| Compound Name |
1-[(4-tert-butylphenyl)methyl]-3-[[4-(methanesulfonamido)-3-propan-2-yloxyphenyl]methyl]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 |
CC(C)Oc1cc(CNC(=S)NCc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O
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| InChI |
InChI=1S/C23H33N3O3S2/c1-16(2)29-21-13-18(9-12-20(21)26-31(6,27)28)15-25-22(30)24-14-17-7-10-19(11-8-17)23(3,4)5/h7-13,16,26H,14-15H2,1-6H3,(H2,24,25,30)
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| InChIKey |
OOFULAOEIYJEPO-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