General Information of the Compound
| Compound ID |
CP0945249
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| Compound Name |
2a-[4-(6,7-Dihydro-4H-furo[3,2-c]pyridin-5-yl)-butyl]-2a,3,4,5-tetrahydro-1H-benzo[cd]indol-2-one
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| Structure |
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| Formula |
C22H26N2O2
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| Molecular Weight |
350.462
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| Canonical SMILES |
O=C1Nc2cccc3c2C1(CCCCN1CCc2occc2C1)CCC3
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| InChI |
InChI=1S/C22H26N2O2/c25-21-22(11-4-6-16-5-3-7-18(23-21)20(16)22)10-1-2-12-24-13-8-19-17(15-24)9-14-26-19/h3,5,7,9,14H,1-2,4,6,8,10-13,15H2,(H,23,25)
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| InChIKey |
HYPWGIMZDOLBLN-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