General Information of the Compound
| Compound ID |
CP0964590
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| Compound Name |
(3aS,10bS)-3a-benzyl-5-(2-hydroxyethyl)-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 |
C26H24N2O3
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| Molecular Weight |
412.489
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| Canonical SMILES |
O=C1N(CCO)Cc2ccccc2[C@@H]2OC(c3ccccc3)=N[C@]12Cc1ccccc1
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| InChI |
InChI=1S/C26H24N2O3/c29-16-15-28-18-21-13-7-8-14-22(21)23-26(25(28)30,17-19-9-3-1-4-10-19)27-24(31-23)20-11-5-2-6-12-20/h1-14,23,29H,15-18H2/t23-,26-/m0/s1
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| InChIKey |
LEKWYNAILQLVDO-OZXSUGGESA-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