General Information of the Compound
| Compound ID |
CP0535512
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| Compound Name |
pyrazolo pyrimidine, 25
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| Structure |
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| Formula |
C28H31N9O4
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| Molecular Weight |
557.615
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| Canonical SMILES |
COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOCC1
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| InChI |
InChI=1S/C28H31N9O4/c1-40-28(39)36-12-8-22(9-13-36)37-26-23(18-30-37)25(35-14-16-41-17-15-35)33-24(34-26)19-2-4-20(5-3-19)31-27(38)32-21-6-10-29-11-7-21/h2-7,10-11,18,22H,8-9,12-17H2,1H3,(H2,29,31,32,38)
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| InChIKey |
PNVCJWPREJZASR-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