General Information of the Compound
| Compound ID |
CP0505998
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| Compound Name |
2-(1-methylpiperidin-4-yl)-N-(2-(6-oxo-6,7,8,9-tetrahydro-3H-pyrrolo[3,2-f]isoquinolin-1-yl)ethyl)acetamide
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| Structure |
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| Formula |
C21H28N4O2
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| Molecular Weight |
368.481
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| Canonical SMILES |
CN1CCC(CC(=O)NCCc2c[nH]c3ccc4C(=O)NCCc4c23)CC1
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| InChI |
InChI=1S/C21H28N4O2/c1-25-10-6-14(7-11-25)12-19(26)22-8-4-15-13-24-18-3-2-17-16(20(15)18)5-9-23-21(17)27/h2-3,13-14,24H,4-12H2,1H3,(H,22,26)(H,23,27)
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| InChIKey |
CQFVIOXFJGDFRT-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