General Information of the Compound
| Compound ID |
CP0417054
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| Compound Name |
(1S,4R)-1-benzyl-10-hydroxy-1-methoxy-4-methyl-2,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
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| Structure |
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| Formula |
C20H19N3O4
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| Molecular Weight |
365.389
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| Canonical SMILES |
CO[C@]1(Cc2ccccc2)NC(=O)[C@@H](C)n2c1nc1c(O)cccc1c2=O
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| InChI |
InChI=1S/C20H19N3O4/c1-12-17(25)22-20(27-2,11-13-7-4-3-5-8-13)19-21-16-14(18(26)23(12)19)9-6-10-15(16)24/h3-10,12,24H,11H2,1-2H3,(H,22,25)/t12-,20+/m1/s1
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| InChIKey |
BFZLJEPIUQRETA-ODXCJYRJSA-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