General Information of the Compound
| Compound ID |
CP0479141
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| Compound Name |
7-phenyl-2-[2-(piperidine-1-carbonyl)phenyl]-4,5-dihydro-3H-pyrrolo[1,2-a][1,4]diazepin-1-one
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| Structure |
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| Formula |
C26H27N3O2
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| Molecular Weight |
413.521
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| Canonical SMILES |
O=C(N1CCCCC1)c1ccccc1N1CCCn2c(ccc2C1=O)-c1ccccc1
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| InChI |
InChI=1S/C26H27N3O2/c30-25(27-16-7-2-8-17-27)21-12-5-6-13-23(21)29-19-9-18-28-22(14-15-24(28)26(29)31)20-10-3-1-4-11-20/h1,3-6,10-15H,2,7-9,16-19H2
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| InChIKey |
LOYOAJAXYBWHHK-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