General Information of the Compound
| Compound ID |
CP0431084
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| Compound Name |
1-(2-aminoethyl)-8,9-dihydro-3H-pyrrolo[3,2-f]isoquinolin-6(7H)-one
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| Structure |
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| Formula |
C13H15N3O
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| Molecular Weight |
229.283
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| Canonical SMILES |
NCCc1c[nH]c2ccc3C(=O)NCCc3c12
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| InChI |
InChI=1S/C13H15N3O/c14-5-3-8-7-16-11-2-1-10-9(12(8)11)4-6-15-13(10)17/h1-2,7,16H,3-6,14H2,(H,15,17)
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| InChIKey |
AFJVHLMQYGQCRU-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