General Information of the Compound
| Compound ID |
CP0473636
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| Compound Name |
2-[2-[4-(3,5-difluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione
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| Structure |
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| Formula |
C21H18F2N2O2
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| Molecular Weight |
368.383
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| Canonical SMILES |
Fc1cc(F)cc(c1)C1=CCN(CCN2C(=O)c3ccccc3C2=O)CC1
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| InChI |
InChI=1S/C21H18F2N2O2/c22-16-11-15(12-17(23)13-16)14-5-7-24(8-6-14)9-10-25-20(26)18-3-1-2-4-19(18)21(25)27/h1-5,11-13H,6-10H2
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| InChIKey |
YDQYMXKMPWRKNP-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