General Information of the Compound
| Compound ID |
CP0447737
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| Compound Name |
5-(3-chloro-4-propan-2-yloxyphenyl)-N-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-amine
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| Structure |
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| Formula |
C16H19ClN4OS
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| Molecular Weight |
350.875
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| Canonical SMILES |
CC(C)Oc1ccc(cc1Cl)-c1nnc(NC2=CCNCC2)s1
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| InChI |
InChI=1S/C16H19ClN4OS/c1-10(2)22-14-4-3-11(9-13(14)17)15-20-21-16(23-15)19-12-5-7-18-8-6-12/h3-5,9-10,18H,6-8H2,1-2H3,(H,19,21)
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| InChIKey |
QOMHWECRSMWWHZ-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