General Information of the Compound
| Compound ID |
CP0569021
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| Compound Name |
6-[(2R)-2-methyl-4-[4-(2-phenylethyl)phthalazin-1-yl]piperazin-1-yl]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C27H26N6
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| Molecular Weight |
434.547
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1ccc(cn1)C#N)c1nnc(CCc2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C27H26N6/c1-20-19-32(15-16-33(20)26-14-12-22(17-28)18-29-26)27-24-10-6-5-9-23(24)25(30-31-27)13-11-21-7-3-2-4-8-21/h2-10,12,14,18,20H,11,13,15-16,19H2,1H3/t20-/m1/s1
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| InChIKey |
HYINDZPGBFSDAQ-HXUWFJFHSA-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