General Information of the Compound
| Compound ID |
CP0305075
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| Compound Name |
CHEMBL1945794
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| Formula |
C18H19N5O3
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| Molecular Weight |
353.382
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| Canonical SMILES |
NC(=O)[C@H]1CC[C@@H](CC1)n1c2nc(cnc2[nH]c1=O)-c1ccc(O)cc1
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| InChI |
InChI=1S/C18H19N5O3/c19-15(25)11-1-5-12(6-2-11)23-17-16(22-18(23)26)20-9-14(21-17)10-3-7-13(24)8-4-10/h3-4,7-9,11-12,24H,1-2,5-6H2,(H2,19,25)(H,20,22,26)/t11-,12-
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| InChIKey |
VMUOUYGEVPPHDL-HAQNSBGRSA-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 > 5000 nM
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TI
LI
LO
TS
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