General Information of the Compound
| Compound ID |
CP0533184
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| Compound Name |
[4-(benzylamino)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C22H23N5O
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| Molecular Weight |
373.46
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| Canonical SMILES |
O=C(N1CCN(CC1)c1ncccn1)c1ccc(NCc2ccccc2)cc1
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| InChI |
InChI=1S/C22H23N5O/c28-21(26-13-15-27(16-14-26)22-23-11-4-12-24-22)19-7-9-20(10-8-19)25-17-18-5-2-1-3-6-18/h1-12,25H,13-17H2
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| InChIKey |
DZUCBXJLKUSLEV-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