General Information of the Compound
| Compound ID |
CP0448870
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| Compound Name |
(5-Pyrrolidin-1-ylmethyl-4-trifluoromethyl-thiazol-2-yl)-(2,4,6-trichloro-phenyl)-amine
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| Structure |
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| Formula |
C15H13Cl3F3N3S
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| Molecular Weight |
430.71
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| Canonical SMILES |
FC(F)(F)c1nc(Nc2c(Cl)cc(Cl)cc2Cl)sc1CN1CCCC1
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| InChI |
InChI=1S/C15H13Cl3F3N3S/c16-8-5-9(17)12(10(18)6-8)22-14-23-13(15(19,20)21)11(25-14)7-24-3-1-2-4-24/h5-6H,1-4,7H2,(H,22,23)
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| InChIKey |
LLALAUQQWPEQEQ-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