General Information of the Compound
| Compound ID |
CP0456083
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| Compound Name |
2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-methoxypyrimidine-4-carboxamide
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| Structure |
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| Formula |
C19H18N4O4
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| Molecular Weight |
366.377
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| Canonical SMILES |
COc1cc(nc(n1)-c1cccc(c1)C#C[C@]1(O)CCN(C)C1=O)C(N)=O
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| InChI |
InChI=1S/C19H18N4O4/c1-23-9-8-19(26,18(23)25)7-6-12-4-3-5-13(10-12)17-21-14(16(20)24)11-15(22-17)27-2/h3-5,10-11,26H,8-9H2,1-2H3,(H2,20,24)/t19-/m0/s1
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| InChIKey |
YDCFGVAUALAUGQ-IBGZPJMESA-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