General Information of the Compound
| Compound ID |
CP0887773
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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)acetic acid
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| Structure |
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| Formula |
C26H22N2O4
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| Molecular Weight |
426.472
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| Canonical SMILES |
O=C(O)CN1Cc2ccccc2[C@@H]2OC(c3ccccc3)=N[C@]2(Cc2ccccc2)C1=O
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| InChI |
InChI=1S/C26H22N2O4/c29-22(30)17-28-16-20-13-7-8-14-21(20)23-26(25(28)31,15-18-9-3-1-4-10-18)27-24(32-23)19-11-5-2-6-12-19/h1-14,23H,15-17H2,(H,29,30)/t23-,26-/m0/s1
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| InChIKey |
YIERIBZRYHXYTR-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