General Information of the Compound
| Compound ID |
CP0062022
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| Compound Name |
3-(4-(4-benzoylpiperazin-1-yl)phthalazin-1-yl)benzonitrile
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| Structure |
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| Formula |
C26H21N5O
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| Molecular Weight |
419.488
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| Canonical SMILES |
O=C(N1CCN(CC1)c1nnc(-c2cccc(c2)C#N)c2ccccc12)c1ccccc1
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| InChI |
InChI=1S/C26H21N5O/c27-18-19-7-6-10-21(17-19)24-22-11-4-5-12-23(22)25(29-28-24)30-13-15-31(16-14-30)26(32)20-8-2-1-3-9-20/h1-12,17H,13-16H2
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| InChIKey |
AMQWUBPMEUNWCK-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