General Information of the Compound
| Compound ID |
CP0496643
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| Compound Name |
1,3-dicyclohexyl-2-(((E)-3-methyl-2-(methylimino)-2,3-dihydrothiazol-4-yl)methyl)isothiourea
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| Formula |
C19H32N4S2
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| Molecular Weight |
380.627
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| Canonical SMILES |
C\N=c1\scc(CS\C(NC2CCCCC2)=N/C2CCCCC2)n1C
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| InChI |
InChI=1S/C19H32N4S2/c1-20-19-23(2)17(14-25-19)13-24-18(21-15-9-5-3-6-10-15)22-16-11-7-4-8-12-16/h14-16H,3-13H2,1-2H3,(H,21,22)/b20-19+
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| InChIKey |
KLLMZMYFAATCQU-FMQUCBEESA-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