General Information of the Compound
| Compound ID |
CP0257048
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| Compound Name |
5-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-(pyridin-4-ylmethoxy)pyridin-2-amine
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| Formula |
C21H25N5OS
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| Molecular Weight |
395.532
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| Canonical SMILES |
CCN1CCC(CC1)c1ncc(s1)-c1cnc(N)c(OCc2ccncc2)c1
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| InChI |
InChI=1S/C21H25N5OS/c1-2-26-9-5-16(6-10-26)21-25-13-19(28-21)17-11-18(20(22)24-12-17)27-14-15-3-7-23-8-4-15/h3-4,7-8,11-13,16H,2,5-6,9-10,14H2,1H3,(H2,22,24)
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| InChIKey |
TXTGAMLGBOIHAX-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