General Information of the Compound
| Compound ID |
CP0348086
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| Compound Name |
1-(cyclohexylmethyl)-3-(4-phenoxyphenyl)thiourea
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| Structure |
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| Formula |
C20H24N2OS
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| Molecular Weight |
340.492
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| Canonical SMILES |
S=C(NCC1CCCCC1)Nc1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C20H24N2OS/c24-20(21-15-16-7-3-1-4-8-16)22-17-11-13-19(14-12-17)23-18-9-5-2-6-10-18/h2,5-6,9-14,16H,1,3-4,7-8,15H2,(H2,21,22,24)
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| InChIKey |
DBWZSMKWALMPGA-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