General Information of the Compound
| Compound ID |
CP0474305
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| Compound Name |
1-[(4-tert-butylphenyl)methyl]-3-[5-(methanesulfonamido)-2,3-dihydro-1H-inden-1-yl]thiourea
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| Structure |
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| Formula |
C22H29N3O2S2
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| Molecular Weight |
431.627
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| Canonical SMILES |
CC(C)(C)c1ccc(CNC(=S)NC2CCc3cc(NS(C)(=O)=O)ccc23)cc1
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| InChI |
InChI=1S/C22H29N3O2S2/c1-22(2,3)17-8-5-15(6-9-17)14-23-21(28)24-20-12-7-16-13-18(10-11-19(16)20)25-29(4,26)27/h5-6,8-11,13,20,25H,7,12,14H2,1-4H3,(H2,23,24,28)
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| InChIKey |
KWKHFAQCJLUXTM-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