General Information of the Compound
| Compound ID |
CP0570749
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| Compound Name |
1-(2,2-dimethylpropyl)-3-[1-[(4-nitrosophenyl)methyl]-2,3-dihydroindol-5-yl]thiourea
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| Structure |
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| Formula |
C21H26N4OS
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| Molecular Weight |
382.533
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| Canonical SMILES |
CC(C)(C)CNC(=S)Nc1ccc2N(Cc3ccc(cc3)N=O)CCc2c1
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| InChI |
InChI=1S/C21H26N4OS/c1-21(2,3)14-22-20(27)23-18-8-9-19-16(12-18)10-11-25(19)13-15-4-6-17(24-26)7-5-15/h4-9,12H,10-11,13-14H2,1-3H3,(H2,22,23,27)
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| InChIKey |
WPRKZXRSIVTSOS-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