General Information of the Compound
| Compound ID |
CP0280366
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| Compound Name |
6-[4-(cyclopropanecarbonyl)phenyl]-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one
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| Structure |
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| Formula |
C25H28N2O2
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| Molecular Weight |
388.511
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| Canonical SMILES |
O=C(C1CC1)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1
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| InChI |
InChI=1S/C25H28N2O2/c28-24(20-7-8-20)19-5-3-18(4-6-19)21-9-10-23-22(17-21)11-14-27(25(23)29)16-15-26-12-1-2-13-26/h3-6,9-10,17,20H,1-2,7-8,11-16H2
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| InChIKey |
IXGOGVFDYFVFOF-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