General Information of the Compound
| Compound ID |
CP0449739
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| Compound Name |
N-[2-(2-tert-butylphenoxy)pyridin-3-yl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
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| Structure |
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| Formula |
C22H20F3N5O2S
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| Molecular Weight |
475.496
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| Canonical SMILES |
Cc1noc(n1)-c1sc(Nc2cccnc2Oc2ccccc2C(C)(C)C)nc1C(F)(F)F
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| InChI |
InChI=1S/C22H20F3N5O2S/c1-12-27-19(32-30-12)16-17(22(23,24)25)29-20(33-16)28-14-9-7-11-26-18(14)31-15-10-6-5-8-13(15)21(2,3)4/h5-11H,1-4H3,(H,28,29)
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| InChIKey |
FSVZFZADAFNJSF-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