General Information of the Compound
| Compound ID |
CP0428780
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| Compound Name |
3-[(1,3-Dioxo-1,3-dihydro-isoindol-2-ylmethyl)-propyl-amino]-propionitrile
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| Structure |
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| Formula |
C15H17N3O2
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| Molecular Weight |
271.32
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| Canonical SMILES |
CCCN(CCC#N)CN1C(=O)c2ccccc2C1=O
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| InChI |
InChI=1S/C15H17N3O2/c1-2-9-17(10-5-8-16)11-18-14(19)12-6-3-4-7-13(12)15(18)20/h3-4,6-7H,2,5,9-11H2,1H3
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| InChIKey |
ULNDHPWJENLXLL-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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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