General Information of the Compound
| Compound ID |
CP0546436
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| Compound Name |
3-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]benzonitrile
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| Structure |
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| Formula |
C22H19N5O
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| Molecular Weight |
369.428
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| Canonical SMILES |
O=C(N1CCN(CC1)c1ncccn1)c1ccc(cc1)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C22H19N5O/c23-16-17-3-1-4-20(15-17)18-5-7-19(8-6-18)21(28)26-11-13-27(14-12-26)22-24-9-2-10-25-22/h1-10,15H,11-14H2
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| InChIKey |
LDKDGKGTGCMHGV-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