General Information of the Compound
| Compound ID |
CP0489404
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| Compound Name |
N-benzyl-1-ethyl-N-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
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| Structure |
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| Formula |
C22H27N5O2
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| Molecular Weight |
393.491
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| Canonical SMILES |
CCn1ncc2c(NC3CCOCC3)c(cnc12)C(=O)N(C)Cc1ccccc1
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| InChI |
InChI=1S/C22H27N5O2/c1-3-27-21-18(14-24-27)20(25-17-9-11-29-12-10-17)19(13-23-21)22(28)26(2)15-16-7-5-4-6-8-16/h4-8,13-14,17H,3,9-12,15H2,1-2H3,(H,23,25)
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| InChIKey |
LXMPLULACZGKHT-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