General Information of the Compound
| Compound ID |
CP0380091
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| Compound Name |
1-ethyl-4-fluoro-N-[5-[1-(2-hydroxyacetyl)-4-methylpiperidin-4-yl]-1,3,4-thiadiazol-2-yl]indazole-6-carboxamide
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| Structure |
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| Formula |
C20H23FN6O3S
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| Molecular Weight |
446.508
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| Canonical SMILES |
CCn1ncc2c(F)cc(cc12)C(=O)Nc1nnc(s1)C1(C)CCN(CC1)C(=O)CO
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| InChI |
InChI=1S/C20H23FN6O3S/c1-3-27-15-9-12(8-14(21)13(15)10-22-27)17(30)23-19-25-24-18(31-19)20(2)4-6-26(7-5-20)16(29)11-28/h8-10,28H,3-7,11H2,1-2H3,(H,23,25,30)
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| InChIKey |
HDKHSTMAQKVCNQ-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