General Information of the Compound
| Compound ID |
CP0460528
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| Compound Name |
(2H-Benzo[1,4]oxazin-3-yl)-methyl-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-butyl]-amine
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| Structure |
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| Formula |
C21H28N6O
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| Molecular Weight |
380.496
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| Canonical SMILES |
CN(CCCCN1CCN(CC1)c1ncccn1)C1=Nc2ccccc2OC1
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| InChI |
InChI=1S/C21H28N6O/c1-25(20-17-28-19-8-3-2-7-18(19)24-20)11-4-5-12-26-13-15-27(16-14-26)21-22-9-6-10-23-21/h2-3,6-10H,4-5,11-17H2,1H3
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| InChIKey |
DPQJSJNBLNVACO-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