General Information of the Compound
| Compound ID |
CP0127575
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| Compound Name |
4-N-(5-chloro-1,3-benzodioxol-4-yl)-2-N-(3,5-dimorpholin-4-ylphenyl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C25H27ClN6O4
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| Molecular Weight |
510.982
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| Canonical SMILES |
Clc1ccc2OCOc2c1Nc1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1
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| InChI |
InChI=1S/C25H27ClN6O4/c26-20-1-2-21-24(36-16-35-21)23(20)29-22-3-4-27-25(30-22)28-17-13-18(31-5-9-33-10-6-31)15-19(14-17)32-7-11-34-12-8-32/h1-4,13-15H,5-12,16H2,(H2,27,28,29,30)
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| InChIKey |
IVXGFXACZQBKSB-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