General Information of the Compound
| Compound ID |
CP0964589
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| Compound Name |
(3aS,10bS)-5-allyl-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 |
C27H24N2O2
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| Molecular Weight |
408.501
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| Canonical SMILES |
C=CCN1Cc2ccccc2[C@@H]2OC(c3ccccc3)=N[C@]2(Cc2ccccc2)C1=O
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| InChI |
InChI=1S/C27H24N2O2/c1-2-17-29-19-22-15-9-10-16-23(22)24-27(26(29)30,18-20-11-5-3-6-12-20)28-25(31-24)21-13-7-4-8-14-21/h2-16,24H,1,17-19H2/t24-,27-/m0/s1
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| InChIKey |
AYMHERUFUSYTFO-IGKIAQTJSA-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