General Information of the Compound
| Compound ID |
CP0481584
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| Compound Name |
1-[9-methoxy-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]indole-5-carbonitrile
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| Structure |
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| Formula |
C25H22N4O2
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| Molecular Weight |
410.477
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| Canonical SMILES |
COc1cc(cc2CN(Cc3cccnc3)CCOc12)-n1ccc2cc(ccc12)C#N
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| InChI |
InChI=1S/C25H22N4O2/c1-30-24-13-22(29-8-6-20-11-18(14-26)4-5-23(20)29)12-21-17-28(9-10-31-25(21)24)16-19-3-2-7-27-15-19/h2-8,11-13,15H,9-10,16-17H2,1H3
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| InChIKey |
PVJVUOHOMWMCST-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