General Information of the Compound
| Compound ID |
CP0472119
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| Compound Name |
N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C24H27N5O2
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| Molecular Weight |
417.513
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| Canonical SMILES |
O=C(NCCc1c[nH]c2ccc3C(=O)NCCc3c12)C1CCN(CC1)c1ccncc1
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| InChI |
InChI=1S/C24H27N5O2/c30-23(16-7-13-29(14-8-16)18-4-9-25-10-5-18)26-11-3-17-15-28-21-2-1-20-19(22(17)21)6-12-27-24(20)31/h1-2,4-5,9-10,15-16,28H,3,6-8,11-14H2,(H,26,30)(H,27,31)
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| InChIKey |
MVDBPUILKIQRDV-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