General Information of the Compound
| Compound ID |
CP0303029
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| Compound Name |
JMC527081 Compound 5f
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| Structure |
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| Formula |
C26H29N7O2
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| Molecular Weight |
471.565
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| Canonical SMILES |
Oc1cccc(c1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1
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| InChI |
InChI=1S/C26H29N7O2/c34-22-5-1-4-20(15-22)24-29-25(32-11-13-35-14-12-32)23-17-28-33(26(23)30-24)21-6-9-31(10-7-21)18-19-3-2-8-27-16-19/h1-5,8,15-17,21,34H,6-7,9-14,18H2
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| InChIKey |
VAOSXQKPRPFALK-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 = 53 nM
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