General Information of the Compound
| Compound ID |
CP0517052
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| Compound Name |
(4-imidazol-1-ylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C18H18N6O
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| Molecular Weight |
334.383
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| Canonical SMILES |
O=C(N1CCN(CC1)c1ncccn1)c1ccc(cc1)-n1ccnc1
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| InChI |
InChI=1S/C18H18N6O/c25-17(15-2-4-16(5-3-15)24-9-8-19-14-24)22-10-12-23(13-11-22)18-20-6-1-7-21-18/h1-9,14H,10-13H2
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| InChIKey |
VOSSXNPYKJNXDZ-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