General Information of the Compound
| Compound ID |
CP0406892
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| Compound Name |
tert-butyl 4-[3-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]propyl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C21H38N6O2
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| Molecular Weight |
406.575
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| Canonical SMILES |
CCCCNc1nc(N)nc(C)c1CCCN1CCN(CC1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C21H38N6O2/c1-6-7-10-23-18-17(16(2)24-19(22)25-18)9-8-11-26-12-14-27(15-13-26)20(28)29-21(3,4)5/h6-15H2,1-5H3,(H3,22,23,24,25)
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| InChIKey |
KTLFBJNYAJVUJC-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