General Information of the Compound
| Compound ID |
CP0505936
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| Compound Name |
6,7-bis(3-hydroxyanilino)-2,3-dihydrophthalazine-1,4-dione
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| Structure |
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| Formula |
C20H16N4O4
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| Molecular Weight |
376.372
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| Canonical SMILES |
Oc1cccc(Nc2cc3c(cc2Nc2cccc(O)c2)c(=O)[nH][nH]c3=O)c1
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| InChI |
InChI=1S/C20H16N4O4/c25-13-5-1-3-11(7-13)21-17-9-15-16(20(28)24-23-19(15)27)10-18(17)22-12-4-2-6-14(26)8-12/h1-10,21-22,25-26H,(H,23,27)(H,24,28)
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| InChIKey |
YMDDDFHRBBCGOK-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