General Information of the Compound
| Compound ID |
CP0553736
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| Compound Name |
4-(((2-(trifluoromethyl)benzyl)(cyclohexylmethyl)amino)methyl)-N-(naphthalen-1-yl)thiazol-2-amine
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| Structure |
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| Formula |
C29H30F3N3S
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| Molecular Weight |
509.641
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| Canonical SMILES |
FC(F)(F)c1ccccc1CN(CC1CCCCC1)Cc1csc(Nc2cccc3ccccc23)n1
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| InChI |
InChI=1S/C29H30F3N3S/c30-29(31,32)26-15-7-5-12-23(26)18-35(17-21-9-2-1-3-10-21)19-24-20-36-28(33-24)34-27-16-8-13-22-11-4-6-14-25(22)27/h4-8,11-16,20-21H,1-3,9-10,17-19H2,(H,33,34)
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| InChIKey |
FGUZANXDGBGCBM-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