General Information of the Compound
| Compound ID |
CP0508476
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| Compound Name |
2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
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| Structure |
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| Formula |
C21H30N6O
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| Molecular Weight |
382.512
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)-c1nccc(NCCN2CCOCC2)n1
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| InChI |
InChI=1S/C21H30N6O/c1-25-10-12-27(13-11-25)19-4-2-18(3-5-19)21-23-7-6-20(24-21)22-8-9-26-14-16-28-17-15-26/h2-7H,8-17H2,1H3,(H,22,23,24)
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| InChIKey |
GKBKIOZEUFVKMO-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