General Information of the Compound
| Compound ID |
CP0373354
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| Compound Name |
1-[(4-tert-butylphenyl)methyl]-3-[5-(methanesulfonamido)-6-methoxy-2,3-dihydro-1H-inden-1-yl]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 |
COc1cc2C(CCc2cc1NS(C)(=O)=O)NC(=S)NCc1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C23H31N3O3S2/c1-23(2,3)17-9-6-15(7-10-17)14-24-22(30)25-19-11-8-16-12-20(26-31(5,27)28)21(29-4)13-18(16)19/h6-7,9-10,12-13,19,26H,8,11,14H2,1-5H3,(H2,24,25,30)
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| InChIKey |
ROVRBXREIUKAQI-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