General Information of the Compound
| Compound ID |
CP0106002
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| Compound Name |
1-(3-Hydroxyanilino)-4-(4-pyridylmethyl)phthalazine
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| Structure |
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| Formula |
C20H16N4O
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| Molecular Weight |
328.375
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| Canonical SMILES |
Oc1cccc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
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| InChI |
InChI=1S/C20H16N4O/c25-16-5-3-4-15(13-16)22-20-18-7-2-1-6-17(18)19(23-24-20)12-14-8-10-21-11-9-14/h1-11,13,25H,12H2,(H,22,24)
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| InChIKey |
ZSNZPFYMIVNIMW-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