General Information of the Compound
| Compound ID |
CP0042686
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| Compound Name |
(2S)-1-[2-(3-oxo-1H-isoindol-2-yl)acetyl]pyrrolidine-2-carbonitrile
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| Structure |
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| Formula |
C15H15N3O2
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| Molecular Weight |
269.304
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| Canonical SMILES |
O=C(CN1Cc2ccccc2C1=O)N1CCC[C@H]1C#N
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| InChI |
InChI=1S/C15H15N3O2/c16-8-12-5-3-7-18(12)14(19)10-17-9-11-4-1-2-6-13(11)15(17)20/h1-2,4,6,12H,3,5,7,9-10H2/t12-/m0/s1
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| InChIKey |
JNHNUZDMIYRMDE-LBPRGKRZSA-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