General Information of the Compound
| Compound ID |
CP0062047
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| Compound Name |
1-(3-Methoxy-4-chloroanilino)-4-(4-pyridylmethyl)-phthalazine
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| Structure |
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| Formula |
C21H17ClN4O
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| Molecular Weight |
376.847
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| Canonical SMILES |
COc1cc(Nc2nnc(Cc3ccncc3)c3ccccc23)ccc1Cl
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| InChI |
InChI=1S/C21H17ClN4O/c1-27-20-13-15(6-7-18(20)22)24-21-17-5-3-2-4-16(17)19(25-26-21)12-14-8-10-23-11-9-14/h2-11,13H,12H2,1H3,(H,24,26)
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| InChIKey |
CAGNWIMSXINYME-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