General Information of the Compound
| Compound ID |
CP0408412
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| Compound Name |
[1,3-dioxo-7-[(6-phenoxypyridin-3-yl)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] 2,3-dihydro-1,4-benzoxazine-4-carboxylate
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| Structure |
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| Formula |
C27H25N5O6
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| Molecular Weight |
515.526
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| Canonical SMILES |
O=C(ON1C(=O)C2CN(Cc3ccc(Oc4ccccc4)nc3)CCN2C1=O)N1CCOc2ccccc12
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| InChI |
InChI=1S/C27H25N5O6/c33-25-22-18-29(17-19-10-11-24(28-16-19)37-20-6-2-1-3-7-20)12-13-30(22)26(34)32(25)38-27(35)31-14-15-36-23-9-5-4-8-21(23)31/h1-11,16,22H,12-15,17-18H2
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| InChIKey |
KFNDFIMEMZAERK-UHFFFAOYSA-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