General Information of the Compound
| Compound ID |
CP0467191
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| Compound Name |
1-[8-(1,4-diazepan-1-yl)quinolin-3-yl]-4-phenylpyrrolidin-2-one
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| Structure |
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| Formula |
C24H26N4O
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| Molecular Weight |
386.499
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| Canonical SMILES |
O=C1CC(CN1c1cnc2c(cccc2c1)N1CCCNCC1)c1ccccc1
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| InChI |
InChI=1S/C24H26N4O/c29-23-15-20(18-6-2-1-3-7-18)17-28(23)21-14-19-8-4-9-22(24(19)26-16-21)27-12-5-10-25-11-13-27/h1-4,6-9,14,16,20,25H,5,10-13,15,17H2
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| InChIKey |
GVHLEYXPFMAHEL-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