General Information of the Compound
| Compound ID |
CP0540244
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| Compound Name |
pyrazolo pyrimidine, 7
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| Structure |
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| Formula |
C28H32N8O2
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| Molecular Weight |
512.618
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| Canonical SMILES |
CC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1
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| InChI |
InChI=1S/C28H32N8O2/c1-20(37)31-23-6-4-22(5-7-23)26-32-27(35-13-15-38-16-14-35)25-18-30-36(28(25)33-26)24-8-11-34(12-9-24)19-21-3-2-10-29-17-21/h2-7,10,17-18,24H,8-9,11-16,19H2,1H3,(H,31,37)
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| InChIKey |
HEIFZPPVVBPBQN-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