General Information of the Compound
| Compound ID |
CP0456113
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| Compound Name |
5-fluoro-1-[4-[2-[(3R)-3-hy- droxy-1-methyl-2-oxo-pyrroli- din-3-yl]ethynyl]-2-pyri- diyl]indazole-3-carboxamide
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| Structure |
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| Formula |
C20H16FN5O3
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| Molecular Weight |
393.378
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| Canonical SMILES |
CN1CC[C@@](O)(C#Cc2ccnc(c2)-n2nc(C(N)=O)c3cc(F)ccc23)C1=O
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| InChI |
InChI=1S/C20H16FN5O3/c1-25-9-7-20(29,19(25)28)6-4-12-5-8-23-16(10-12)26-15-3-2-13(21)11-14(15)17(24-26)18(22)27/h2-3,5,8,10-11,29H,7,9H2,1H3,(H2,22,27)/t20-/m0/s1
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| InChIKey |
ZXFKJRRUBNZXOT-FQEVSTJZSA-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