General Information of the Compound
| Compound ID |
CP0104068
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| Compound Name |
pyrazolo pyrimidine, 10
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| Structure |
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| Formula |
C28H33N9O2
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| Molecular Weight |
527.633
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| Canonical SMILES |
CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1
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| InChI |
InChI=1S/C28H33N9O2/c1-29-28(38)32-22-6-4-21(5-7-22)25-33-26(36-13-15-39-16-14-36)24-18-31-37(27(24)34-25)23-8-11-35(12-9-23)19-20-3-2-10-30-17-20/h2-7,10,17-18,23H,8-9,11-16,19H2,1H3,(H2,29,32,38)
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| InChIKey |
YWWSGKYAMVMIMB-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 | |
| CL000141 | LNCaP | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 3.4 nM
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TI
LI
LO
TS
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