General Information of the Compound
| Compound ID |
CP0521033
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| Compound Name |
5-[4-[2-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]ethyl]phenyl]pyrimidine
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| Structure |
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| Formula |
C24H27N5O2
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| Molecular Weight |
417.513
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| Canonical SMILES |
[O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(cc3)-c3cncnc3)CC2)cc1
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| InChI |
InChI=1S/C24H27N5O2/c30-29(31)24-7-3-21(4-8-24)10-12-28-15-13-27(14-16-28)11-9-20-1-5-22(6-2-20)23-17-25-19-26-18-23/h1-8,17-19H,9-16H2
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| InChIKey |
ALWLQBZGDYONNV-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