General Information of the Compound
| Compound ID |
CP0960877
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| Compound Name |
(3aS,10bS)-3a-benzyl-2-phenyl-5-(2-(phenylsulfonyl)ethyl)-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 |
C33H29NO4S
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| Molecular Weight |
535.665
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| Canonical SMILES |
O=C1N(CCS(=O)(=O)c2ccccc2)Cc2ccccc2[C@@H]2OC(c3ccccc3)=C[C@]12Cc1ccccc1
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| InChI |
InChI=1S/C33H29NO4S/c35-32-33(22-25-12-4-1-5-13-25)23-30(26-14-6-2-7-15-26)38-31(33)29-19-11-10-16-27(29)24-34(32)20-21-39(36,37)28-17-8-3-9-18-28/h1-19,23,31H,20-22,24H2/t31-,33-/m0/s1
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| InChIKey |
DWFYFQFRHJKOGD-WEZIJMHWSA-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