General Information of the Compound
| Compound ID |
CP0510599
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| Compound Name |
6-[(2R)-4-(4-benzylphthalazin-1-yl)-2-propan-2-ylpiperazin-1-yl]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C28H28N6
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| Molecular Weight |
448.574
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| Canonical SMILES |
CC(C)[C@@H]1CN(CCN1c1ccc(cn1)C#N)c1nnc(Cc2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C28H28N6/c1-20(2)26-19-33(14-15-34(26)27-13-12-22(17-29)18-30-27)28-24-11-7-6-10-23(24)25(31-32-28)16-21-8-4-3-5-9-21/h3-13,18,20,26H,14-16,19H2,1-2H3/t26-/m0/s1
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| InChIKey |
MFASMRAAELJWJK-SANMLTNESA-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