General Information of the Compound
| Compound ID |
CP0519770
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| Compound Name |
1-[3-[2-[(3R)-3-hydroxy-1- methyl-2-oxo-pyrrolidin-3- yl]ethynyl]phenyl]indazole- 3-carboxamide
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| Structure |
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| Formula |
C21H18N4O3
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| Molecular Weight |
374.4
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| Canonical SMILES |
CN1CC[C@@](O)(C#Cc2cccc(c2)-n2nc(C(N)=O)c3ccccc23)C1=O
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| InChI |
InChI=1S/C21H18N4O3/c1-24-12-11-21(28,20(24)27)10-9-14-5-4-6-15(13-14)25-17-8-3-2-7-16(17)18(23-25)19(22)26/h2-8,13,28H,11-12H2,1H3,(H2,22,26)/t21-/m0/s1
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| InChIKey |
NXAKTRYQXPJCEF-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