General Information of the Compound
| Compound ID |
CP0274630
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| Compound Name |
pyrazolo pyrimidine, 12
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| Structure |
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| Formula |
C29H34N8O4
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| Molecular Weight |
558.643
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| Canonical SMILES |
OCCOC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1
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| InChI |
InChI=1S/C29H34N8O4/c38-14-17-41-29(39)32-23-5-3-22(4-6-23)26-33-27(36-12-15-40-16-13-36)25-19-31-37(28(25)34-26)24-7-10-35(11-8-24)20-21-2-1-9-30-18-21/h1-6,9,18-19,24,38H,7-8,10-17,20H2,(H,32,39)
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| InChIKey |
DAYJDLKGFSGOQF-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