General Information of the Compound
| Compound ID |
CP0525690
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| Compound Name |
N-[2-(2-tert-butylphenoxy)pyridin-3-yl]-5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-amine
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| Structure |
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| Formula |
C25H27N5OS
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| Molecular Weight |
445.592
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| Canonical SMILES |
CN(C)c1cccc(c1)-c1nnc(Nc2cccnc2Oc2ccccc2C(C)(C)C)s1
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| InChI |
InChI=1S/C25H27N5OS/c1-25(2,3)19-12-6-7-14-21(19)31-22-20(13-9-15-26-22)27-24-29-28-23(32-24)17-10-8-11-18(16-17)30(4)5/h6-16H,1-5H3,(H,27,29)
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| InChIKey |
IAQWWRHPLHRVSA-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