General Information of the Compound
| Compound ID |
CP0422881
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| Compound Name |
N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C23H26N6O2
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| Molecular Weight |
418.501
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| Canonical SMILES |
O=C(NCCc1c[nH]c2ccc3C(=O)NCCc3c12)C1CCN(CC1)c1ncccn1
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| InChI |
InChI=1S/C23H26N6O2/c30-21(15-6-12-29(13-7-15)23-26-8-1-9-27-23)24-10-4-16-14-28-19-3-2-18-17(20(16)19)5-11-25-22(18)31/h1-3,8-9,14-15,28H,4-7,10-13H2,(H,24,30)(H,25,31)
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| InChIKey |
QUWJDVXOKDKIEY-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