General Information of the Compound
| Compound ID |
CP0547671
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| Compound Name |
(4-pyrimidin-2-ylpiperazin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
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| Structure |
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| Formula |
C19H19N5O
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| Molecular Weight |
333.395
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| Canonical SMILES |
O=C(N1CCN(CC1)c1ncccn1)c1ccc(cc1)-n1cccc1
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| InChI |
InChI=1S/C19H19N5O/c25-18(16-4-6-17(7-5-16)22-10-1-2-11-22)23-12-14-24(15-13-23)19-20-8-3-9-21-19/h1-11H,12-15H2
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| InChIKey |
GAKALYOZKAXZGM-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