General Information of the Compound
| Compound ID |
CP0567186
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| Compound Name |
N-[2-(2-tert-butylphenoxy)pyridin-3-yl]-5-[3-[(dimethylamino)methyl]phenyl]-1,3,4-thiadiazol-2-amine
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| Structure |
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| Formula |
C26H29N5OS
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| Molecular Weight |
459.619
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| Canonical SMILES |
CN(C)Cc1cccc(c1)-c1nnc(Nc2cccnc2Oc2ccccc2C(C)(C)C)s1
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| InChI |
InChI=1S/C26H29N5OS/c1-26(2,3)20-12-6-7-14-22(20)32-23-21(13-9-15-27-23)28-25-30-29-24(33-25)19-11-8-10-18(16-19)17-31(4)5/h6-16H,17H2,1-5H3,(H,28,30)
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| InChIKey |
XLQBFSJWZKBCTI-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