General Information of the Compound
| Compound ID |
CP0519772
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| Compound Name |
3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]isoquinoline-1-carboxamide
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| Structure |
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| Formula |
C23H19N3O3
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| Molecular Weight |
385.423
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| Canonical SMILES |
CN1CC[C@@](O)(C#Cc2cccc(c2)-c2cc3ccccc3c(n2)C(N)=O)C1=O
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| InChI |
InChI=1S/C23H19N3O3/c1-26-12-11-23(29,22(26)28)10-9-15-5-4-7-17(13-15)19-14-16-6-2-3-8-18(16)20(25-19)21(24)27/h2-8,13-14,29H,11-12H2,1H3,(H2,24,27)/t23-/m0/s1
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| InChIKey |
BHMWTKSKABRIAP-QHCPKHFHSA-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