General Information of the Compound
| Compound ID |
CP0638986
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| Compound Name |
(3aS,10bS)-3a-benzyl-2-phenyl-5-(2-(phenylsulfonyl)ethyl)-5,6-dihydro-3aH-benzo[e]oxazolo[4,5-c]azepin-4(10bH)-one
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| Structure |
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| Formula |
C32H28N2O4S
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| Molecular Weight |
536.653
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| Canonical SMILES |
O=C1N(CCS(=O)(=O)c2ccccc2)Cc2ccccc2[C@@H]2OC(c3ccccc3)=N[C@]12Cc1ccccc1
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| InChI |
InChI=1S/C32H28N2O4S/c35-31-32(22-24-12-4-1-5-13-24)29(38-30(33-32)25-14-6-2-7-15-25)28-19-11-10-16-26(28)23-34(31)20-21-39(36,37)27-17-8-3-9-18-27/h1-19,29H,20-23H2/t29-,32-/m0/s1
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| InChIKey |
AUPOISKEBNQLRH-NYDCQLBNSA-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