General Information of the Compound
| Compound ID |
CP0506679
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| Compound Name |
6-[(2R)-4-(4-benzylphthalazin-1-yl)-2-ethylpiperazin-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 |
CC[C@@H]1CN(CCN1c1ccc(cn1)C#N)c1nnc(Cc2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C27H26N6/c1-2-22-19-32(14-15-33(22)26-13-12-21(17-28)18-29-26)27-24-11-7-6-10-23(24)25(30-31-27)16-20-8-4-3-5-9-20/h3-13,18,22H,2,14-16,19H2,1H3/t22-/m1/s1
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| InChIKey |
AOCLBRJWGRDGCR-JOCHJYFZSA-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