General Information of the Compound
| Compound ID |
CP0381987
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| Compound Name |
pyrazolo pyrimidine, 8
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| Structure |
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| Formula |
C29H33N7O2
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| Molecular Weight |
511.63
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| Canonical SMILES |
CC(=O)Nc1cccc(c1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
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| InChI |
InChI=1S/C29H33N7O2/c1-21(37)31-24-9-5-8-23(18-24)27-32-28(35-14-16-38-17-15-35)26-19-30-36(29(26)33-27)25-10-12-34(13-11-25)20-22-6-3-2-4-7-22/h2-9,18-19,25H,10-17,20H2,1H3,(H,31,37)
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| InChIKey |
VRRXJIFGRFWALI-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