General Information of the Compound
| Compound ID |
CP0497983
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| Compound Name |
5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
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| Structure |
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| Formula |
C16H13Cl3F3N3S
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| Molecular Weight |
442.721
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| Canonical SMILES |
FC(F)(F)c1nc(Nc2c(Cl)cc(Cl)cc2Cl)sc1CN1CCC=CC1
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| InChI |
InChI=1S/C16H13Cl3F3N3S/c17-9-6-10(18)13(11(19)7-9)23-15-24-14(16(20,21)22)12(26-15)8-25-4-2-1-3-5-25/h1-2,6-7H,3-5,8H2,(H,23,24)
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| InChIKey |
SERWOVULUSIEME-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