General Information of the Compound
| Compound ID |
CP0403740
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| Compound Name |
N-[2-(2-tert-butylphenoxy)pyridin-3-yl]-5-[3-[3-(dimethylamino)-2,2-dimethylpropoxy]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
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| Structure |
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| Formula |
C32H37F3N4O2S
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| Molecular Weight |
598.735
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| Canonical SMILES |
CN(C)CC(C)(C)COc1cccc(c1)-c1sc(Nc2cccnc2Oc2ccccc2C(C)(C)C)nc1C(F)(F)F
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| InChI |
InChI=1S/C32H37F3N4O2S/c1-30(2,3)23-14-8-9-16-25(23)41-28-24(15-11-17-36-28)37-29-38-27(32(33,34)35)26(42-29)21-12-10-13-22(18-21)40-20-31(4,5)19-39(6)7/h8-18H,19-20H2,1-7H3,(H,37,38)
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| InChIKey |
FZVJPIZZUWALPO-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