General Information of the Compound
| Compound ID |
CP0966764
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| Compound Name |
(3aS,10bS)-5-benzoyl-3a-benzyl-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 |
C31H24N2O3
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| Molecular Weight |
472.544
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| Canonical SMILES |
O=C(c1ccccc1)N1Cc2ccccc2[C@@H]2OC(c3ccccc3)=N[C@]2(Cc2ccccc2)C1=O
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| InChI |
InChI=1S/C31H24N2O3/c34-29(24-16-8-3-9-17-24)33-21-25-18-10-11-19-26(25)27-31(30(33)35,20-22-12-4-1-5-13-22)32-28(36-27)23-14-6-2-7-15-23/h1-19,27H,20-21H2/t27-,31-/m0/s1
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| InChIKey |
QXUULTFQLYRGDG-DHIFEGFHSA-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