General Information of the Compound
| Compound ID |
CP0497700
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| Compound Name |
1-[(4-tert-butylphenyl)methyl]-3-[6-(methanesulfonamido)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
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| Structure |
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| Formula |
C24H33N3O3S2
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| Molecular Weight |
475.68
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| Canonical SMILES |
COc1cc2C(CCCc2cc1NS(C)(=O)=O)NC(=S)NCc1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C24H33N3O3S2/c1-24(2,3)18-11-9-16(10-12-18)15-25-23(31)26-20-8-6-7-17-13-21(27-32(5,28)29)22(30-4)14-19(17)20/h9-14,20,27H,6-8,15H2,1-5H3,(H2,25,26,31)
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| InChIKey |
ZZWURKKCOBTTRB-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