General Information of the Compound
| Compound ID |
CP0572061
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| Compound Name |
1,3-dihydroisoindol-2-yl-[(2R,4S)-4-phenylpyrrolidin-2-yl]methanone
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| Structure |
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| Formula |
C19H20N2O
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| Molecular Weight |
292.382
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| Canonical SMILES |
O=C([C@H]1C[C@H](CN1)c1ccccc1)N1Cc2ccccc2C1
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| InChI |
InChI=1S/C19H20N2O/c22-19(21-12-15-8-4-5-9-16(15)13-21)18-10-17(11-20-18)14-6-2-1-3-7-14/h1-9,17-18,20H,10-13H2/t17-,18-/m1/s1
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| InChIKey |
CNNYTLGFUDHERQ-QZTJIDSGSA-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