General Information of the Compound
| Compound ID |
CP0540085
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| Compound Name |
6-[(2R)-4-(4-benzylphthalazin-1-yl)-2-(hydroxymethyl)piperazin-1-yl]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C26H24N6O
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| Molecular Weight |
436.519
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| Canonical SMILES |
OC[C@H]1CN(CCN1c1ccc(cn1)C#N)c1nnc(Cc2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C26H24N6O/c27-15-20-10-11-25(28-16-20)32-13-12-31(17-21(32)18-33)26-23-9-5-4-8-22(23)24(29-30-26)14-19-6-2-1-3-7-19/h1-11,16,21,33H,12-14,17-18H2/t21-/m1/s1
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| InChIKey |
YLXASQFEIQUTLF-OAQYLSRUSA-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