General Information of the Compound
| Compound ID |
CP0445959
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| Compound Name |
1-[4-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin-3- yl]ethynyl]-2-pyridyl]-4,5,6,7- tetrahydroindazole-3-carbox- amide
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| Structure |
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| Formula |
C20H21N5O3
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| Molecular Weight |
379.42
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| Canonical SMILES |
CN1CC[C@@](O)(C#Cc2ccnc(c2)-n2nc(C(N)=O)c3CCCCc23)C1=O
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| InChI |
InChI=1S/C20H21N5O3/c1-24-11-9-20(28,19(24)27)8-6-13-7-10-22-16(12-13)25-15-5-3-2-4-14(15)17(23-25)18(21)26/h7,10,12,28H,2-5,9,11H2,1H3,(H2,21,26)/t20-/m0/s1
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| InChIKey |
ANPWZZNJYGIQMA-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