General Information of the Compound
| Compound ID |
CP0565899
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| Compound Name |
5-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one
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| Structure |
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| Formula |
C26H24N8O
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| Molecular Weight |
464.533
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| Canonical SMILES |
Cc1nn(c(N2CCCC2)c1\C=N\n1cnc2n(ncc2c1=O)-c1ccccc1)-c1ccccc1
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| InChI |
InChI=1S/C26H24N8O/c1-19-22(25(31-14-8-9-15-31)34(30-19)21-12-6-3-7-13-21)16-28-32-18-27-24-23(26(32)35)17-29-33(24)20-10-4-2-5-11-20/h2-7,10-13,16-18H,8-9,14-15H2,1H3/b28-16+
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| InChIKey |
CBEHIVWZBJIINK-LQKURTRISA-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