General Information of the Compound
| Compound ID |
CP0969646
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| Compound Name |
(3aS,10bS)-2-phenyl-5,6-dihydro-3aH-benzo[e]oxazolo[4,5-c]azepin-4(10bH)-one
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| Structure |
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| Formula |
C17H14N2O2
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| Molecular Weight |
278.311
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| Canonical SMILES |
O=C1NCc2ccccc2[C@@H]2OC(c3ccccc3)=N[C@H]12
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| InChI |
InChI=1S/C17H14N2O2/c20-16-14-15(13-9-5-4-8-12(13)10-18-16)21-17(19-14)11-6-2-1-3-7-11/h1-9,14-15H,10H2,(H,18,20)/t14-,15-/m0/s1
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| InChIKey |
YCJVREWLOMCTOA-GJZGRUSLSA-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