General Information of the Compound
| Compound ID |
CP0126222
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| Compound Name |
6-pyridin-4-yl-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one
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| Structure |
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| Formula |
C20H23N3O
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| Molecular Weight |
321.424
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| Canonical SMILES |
O=C1N(CCN2CCCC2)CCc2cc(ccc12)-c1ccncc1
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| InChI |
InChI=1S/C20H23N3O/c24-20-19-4-3-17(16-5-8-21-9-6-16)15-18(19)7-12-23(20)14-13-22-10-1-2-11-22/h3-6,8-9,15H,1-2,7,10-14H2
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| InChIKey |
OYOUUSCAVHSQKA-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