General Information of the Compound
| Compound ID |
CP0502435
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| Compound Name |
2-Benzyl-1,3-dicyclohexyl-isothiourea
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| Structure |
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| Formula |
C20H30N2S
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| Molecular Weight |
330.541
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| Canonical SMILES |
C(S\C(NC1CCCCC1)=N/C1CCCCC1)c1ccccc1
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| InChI |
InChI=1S/C20H30N2S/c1-4-10-17(11-5-1)16-23-20(21-18-12-6-2-7-13-18)22-19-14-8-3-9-15-19/h1,4-5,10-11,18-19H,2-3,6-9,12-16H2,(H,21,22)
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| InChIKey |
AKWYUXGJLWSOTO-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