General Information of the Compound
| Compound ID |
CP0439264
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| Compound Name |
1-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-3-(phenylmethyl)thiourea
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| Structure |
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| Formula |
C20H25N3O2S2
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| Molecular Weight |
403.573
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| Canonical SMILES |
Cc1ccc(NC(=S)NCc2ccccc2)cc1S(=O)(=O)N1CCCCC1
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| InChI |
InChI=1S/C20H25N3O2S2/c1-16-10-11-18(22-20(26)21-15-17-8-4-2-5-9-17)14-19(16)27(24,25)23-12-6-3-7-13-23/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3,(H2,21,22,26)
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| InChIKey |
HRFVMXKRYBXNOG-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
Protein ID: PT06109, Geminin
Protein ID: PT06172, Mothers against decapentaplegic homolog 3