General Information of the Compound
| Compound ID |
CP0210111
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| Compound Name |
6-[3-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one
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| Structure |
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| Formula |
C26H30FN3O2
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| Molecular Weight |
435.543
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| Canonical SMILES |
Fc1cc(ccc1C(=O)N1CCCC1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1
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| InChI |
InChI=1S/C26H30FN3O2/c27-24-18-20(6-8-23(24)26(32)29-12-3-4-13-29)19-5-7-22-21(17-19)9-14-30(25(22)31)16-15-28-10-1-2-11-28/h5-8,17-18H,1-4,9-16H2
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| InChIKey |
PSOYZSZZNCJMRX-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