General Information of the Compound
| Compound ID |
CP0046339
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| Compound Name |
2-benzyl-7-(pyrrolidine-1-carbonyl)-3H-isoindol-1-one
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| Structure |
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| Formula |
C20H20N2O2
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| Molecular Weight |
320.392
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| Canonical SMILES |
O=C(N1CCCC1)c1cccc2CN(Cc3ccccc3)C(=O)c12
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| InChI |
InChI=1S/C20H20N2O2/c23-19(21-11-4-5-12-21)17-10-6-9-16-14-22(20(24)18(16)17)13-15-7-2-1-3-8-15/h1-3,6-10H,4-5,11-14H2
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| InChIKey |
LDBQJXCAMFZXQH-UHFFFAOYSA-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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