General Information of the Compound
| Compound ID |
CP0506000
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| Compound Name |
N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]pyridine-2-carboxamide
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| Structure |
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| Formula |
C19H18N4O2
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| Molecular Weight |
334.379
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| Canonical SMILES |
O=C(NCCc1c[nH]c2ccc3C(=O)NCCc3c12)c1ccccn1
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| InChI |
InChI=1S/C19H18N4O2/c24-18-14-4-5-15-17(13(14)7-10-21-18)12(11-23-15)6-9-22-19(25)16-3-1-2-8-20-16/h1-5,8,11,23H,6-7,9-10H2,(H,21,24)(H,22,25)
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| InChIKey |
DFFPYDJJMPQRKQ-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