General Information of the Compound
| Compound ID |
CP0504677
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| Compound Name |
1,3-dibenzylthiourea
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| Structure |
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| Formula |
C15H16N2S
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| Molecular Weight |
256.374
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| Canonical SMILES |
S=C(NCc1ccccc1)NCc1ccccc1
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| InChI |
InChI=1S/C15H16N2S/c18-15(16-11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,16,17,18)
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| InChIKey |
LQZPSWMMTICWHD-UHFFFAOYSA-N
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| CAS |
1424-14-2
34853-56-0
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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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT02149, Transient receptor potential cation channel subfamily A member 1