General Information of the Compound
| Compound ID |
CP0417055
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| Compound Name |
(1S,4R)-1-benzyl-1,10-dihydroxy-4-methyl-2,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
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| Structure |
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| Formula |
C19H17N3O4
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| Molecular Weight |
351.362
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| Canonical SMILES |
C[C@@H]1C(=O)N[C@](O)(Cc2ccccc2)c2nc3c(O)cccc3c(=O)n12
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| InChI |
InChI=1S/C19H17N3O4/c1-11-16(24)21-19(26,10-12-6-3-2-4-7-12)18-20-15-13(17(25)22(11)18)8-5-9-14(15)23/h2-9,11,23,26H,10H2,1H3,(H,21,24)/t11-,19+/m1/s1
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| InChIKey |
GEOABWCKNIFYFG-WYRIXSBYSA-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