General Information of the Compound
| Compound ID |
CP0561093
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| Compound Name |
N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]pyridin-3-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
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| Structure |
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| Formula |
C25H24N2O4
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| Molecular Weight |
416.477
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| Canonical SMILES |
Cc1ccc(Oc2ncccc2NC(=O)c2ccc3OCCCOc3c2)c2CCCc12
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| InChI |
InChI=1S/C25H24N2O4/c1-16-8-10-21(19-6-2-5-18(16)19)31-25-20(7-3-12-26-25)27-24(28)17-9-11-22-23(15-17)30-14-4-13-29-22/h3,7-12,15H,2,4-6,13-14H2,1H3,(H,27,28)
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| InChIKey |
CGILNBOXPOLWSX-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