General Information of the Compound
| Compound ID |
CP0887770
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| Compound Name |
(3aS,10bS)-3a-benzyl-2-phenyl-3a,5,6,10b-tetrahydro-4H-benzo[c]furo[2,3-e]azepin-4-one
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| Structure |
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| Formula |
C25H21NO2
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| Molecular Weight |
367.448
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| Canonical SMILES |
O=C1NCc2ccccc2[C@@H]2OC(c3ccccc3)=C[C@]12Cc1ccccc1
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| InChI |
InChI=1S/C25H21NO2/c27-24-25(15-18-9-3-1-4-10-18)16-22(19-11-5-2-6-12-19)28-23(25)21-14-8-7-13-20(21)17-26-24/h1-14,16,23H,15,17H2,(H,26,27)/t23-,25-/m0/s1
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| InChIKey |
SRYCMXMCXJBJLG-ZCYQVOJMSA-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