General Information of the Compound
| Compound ID |
CP0534613
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| Compound Name |
1-ethyl-4-fluoro-N-[5-[1-(2-hydroxypropanoyl)-4-methylpiperidin-4-yl]-1,3,4-thiadiazol-2-yl]indazole-6-carboxamide
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| Structure |
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| Formula |
C21H25FN6O3S
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| Molecular Weight |
460.535
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| Canonical SMILES |
CCn1ncc2c(F)cc(cc12)C(=O)Nc1nnc(s1)C1(C)CCN(CC1)C(=O)C(C)O
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| InChI |
InChI=1S/C21H25FN6O3S/c1-4-28-16-10-13(9-15(22)14(16)11-23-28)17(30)24-20-26-25-19(32-20)21(3)5-7-27(8-6-21)18(31)12(2)29/h9-12,29H,4-8H2,1-3H3,(H,24,26,30)
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| InChIKey |
XTLUAYYIQIKKGV-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