General Information of the Compound
| Compound ID |
CP0418158
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| Compound Name |
1-methyl-N-(2-(6-oxo-6,7,8,9-tetrahydro-3H-pyrrolo[3,2-f]isoquinolin-1-yl)ethyl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C20H26N4O2
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| Molecular Weight |
354.454
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| Canonical SMILES |
CN1CCC(CC1)C(=O)NCCc1c[nH]c2ccc3C(=O)NCCc3c12
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| InChI |
InChI=1S/C20H26N4O2/c1-24-10-6-13(7-11-24)19(25)21-8-4-14-12-23-17-3-2-16-15(18(14)17)5-9-22-20(16)26/h2-3,12-13,23H,4-11H2,1H3,(H,21,25)(H,22,26)
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| InChIKey |
AEYPVXZFCDOPOH-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