General Information of the Compound
| Compound ID |
CP0096185
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| Compound Name |
pyrazolo pyrimidine, 5a
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| Structure |
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| Formula |
C20H24N6O2
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| Molecular Weight |
380.452
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| Canonical SMILES |
Oc1cccc(c1)-c1nc(N2CCOCC2)c2cnn(C3CCNCC3)c2n1
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| InChI |
InChI=1S/C20H24N6O2/c27-16-3-1-2-14(12-16)18-23-19(25-8-10-28-11-9-25)17-13-22-26(20(17)24-18)15-4-6-21-7-5-15/h1-3,12-13,15,21,27H,4-11H2
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| InChIKey |
WCZSBHYATWRXOI-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
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000048 | PC-3 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 922 nM
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TI
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LO
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