General Information of the Compound
| Compound ID |
CP0459755
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| Compound Name |
4-((bis(cyclohexylmethyl)amino)methyl)-N-(naphthalen-1-yl)thiazol-2-amine
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| Structure |
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| Formula |
C28H37N3S
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| Molecular Weight |
447.692
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| Canonical SMILES |
C(C1CCCCC1)N(CC1CCCCC1)Cc1csc(Nc2cccc3ccccc23)n1
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| InChI |
InChI=1S/C28H37N3S/c1-3-10-22(11-4-1)18-31(19-23-12-5-2-6-13-23)20-25-21-32-28(29-25)30-27-17-9-15-24-14-7-8-16-26(24)27/h7-9,14-17,21-23H,1-6,10-13,18-20H2,(H,29,30)
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| InChIKey |
UWOWEDOVRFXUHU-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