General Information of the Compound
| Compound ID |
CP0481609
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| Compound Name |
5-methyl-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 |
C22H32N6O
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| Molecular Weight |
396.539
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)-c1ncc(C)c(NCCN2CCOCC2)n1
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| InChI |
InChI=1S/C22H32N6O/c1-18-17-24-22(25-21(18)23-7-8-27-13-15-29-16-14-27)19-3-5-20(6-4-19)28-11-9-26(2)10-12-28/h3-6,17H,7-16H2,1-2H3,(H,23,24,25)
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| InChIKey |
UKVHQHPJIFTAEW-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