General Information of the Compound
| Compound ID |
CP0521354
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| Compound Name |
3-N-(2,6-dimethylphenyl)-1-(2-morpholin-4-ylethyl)-6-N-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
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| Structure |
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| Formula |
C25H29N7O
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| Molecular Weight |
443.555
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| Canonical SMILES |
Cc1cccc(C)c1Nc1nn(CCN2CCOCC2)c2nc(Nc3ccccc3)ncc12
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| InChI |
InChI=1S/C25H29N7O/c1-18-7-6-8-19(2)22(18)28-23-21-17-26-25(27-20-9-4-3-5-10-20)29-24(21)32(30-23)12-11-31-13-15-33-16-14-31/h3-10,17H,11-16H2,1-2H3,(H,28,30)(H,26,27,29)
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| InChIKey |
LDAWSYOWVKTXAN-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