General Information of the Compound
| Compound ID |
CP0450890
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| Compound Name |
5-fluoro-1-[3-[2-[(3R)-3-hy- droxy-1-methyl-2-oxo-pyrroli- din-3-yl]ethynyl]phenyl] indazole-3-carboxamide
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| Structure |
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| Formula |
C21H17FN4O3
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| Molecular Weight |
392.39
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| Canonical SMILES |
CN1CC[C@@](O)(C#Cc2cccc(c2)-n2nc(C(N)=O)c3cc(F)ccc23)C1=O
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| InChI |
InChI=1S/C21H17FN4O3/c1-25-10-9-21(29,20(25)28)8-7-13-3-2-4-15(11-13)26-17-6-5-14(22)12-16(17)18(24-26)19(23)27/h2-6,11-12,29H,9-10H2,1H3,(H2,23,27)/t21-/m0/s1
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| InChIKey |
TUXMKFYFDNOHIO-NRFANRHFSA-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