General Information of the Compound
| Compound ID |
CP0377409
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| Compound Name |
1-[(4-tert-butylphenyl)methyl]-3-[1-(4-methanesulfonamido-3-methoxyphenyl)cyclopropyl]thiourea
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| Structure |
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| Formula |
C23H31N3O3S2
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| Molecular Weight |
461.653
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| Canonical SMILES |
COc1cc(ccc1NS(C)(=O)=O)C1(CC1)NC(=S)NCc1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C23H31N3O3S2/c1-22(2,3)17-8-6-16(7-9-17)15-24-21(30)25-23(12-13-23)18-10-11-19(20(14-18)29-4)26-31(5,27)28/h6-11,14,26H,12-13,15H2,1-5H3,(H2,24,25,30)
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| InChIKey |
DNPKVROEPMZSJT-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