General Information of the Compound
| Compound ID |
CP0415704
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| Compound Name |
4-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-2-carboxamide
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| Structure |
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| Formula |
C18H16N4O3
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| Molecular Weight |
336.351
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| Canonical SMILES |
CN1CC[C@@](O)(C#Cc2cccc(c2)-c2ccnc(n2)C(N)=O)C1=O
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| InChI |
InChI=1S/C18H16N4O3/c1-22-10-8-18(25,17(22)24)7-5-12-3-2-4-13(11-12)14-6-9-20-16(21-14)15(19)23/h2-4,6,9,11,25H,8,10H2,1H3,(H2,19,23)/t18-/m0/s1
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| InChIKey |
WKCIEFRRQOMUIG-SFHVURJKSA-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