General Information of the Compound
| Compound ID |
CP0951343
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| Compound Name |
2-((3aS,10bS)-3a-benzyl-4-oxo-2-phenyl-3aH-benzo[e]oxazolo[4,5-c]azepin-5(4H,6H,10bH)-yl)-N-(prop-2-ynyl)acetamide
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| Structure |
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| Formula |
C29H25N3O3
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| Molecular Weight |
463.537
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| Canonical SMILES |
C#CCNC(=O)CN1Cc2ccccc2[C@@H]2OC(c3ccccc3)=N[C@]2(Cc2ccccc2)C1=O
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| InChI |
InChI=1S/C29H25N3O3/c1-2-17-30-25(33)20-32-19-23-15-9-10-16-24(23)26-29(28(32)34,18-21-11-5-3-6-12-21)31-27(35-26)22-13-7-4-8-14-22/h1,3-16,26H,17-20H2,(H,30,33)/t26-,29-/m0/s1
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| InChIKey |
GWTDQNIZDGKGLP-WNJJXGMVSA-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