General Information of the Compound
| Compound ID |
CP0303113
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| Compound Name |
4-[[4-[4-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxy-1,3,5-triazin-2-yl]phenyl]carbamoylamino]-N-(2-piperidin-1-ylethyl)benzamide
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| Structure |
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| Formula |
C32H40N8O5
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| Molecular Weight |
616.723
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| Canonical SMILES |
O=C(Nc1ccc(cc1)C(=O)NCCN1CCCCC1)Nc1ccc(cc1)-c1nc(O[C@H]2CCOC2)nc(n1)N1CCOCC1
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| InChI |
InChI=1S/C32H40N8O5/c41-29(33-13-16-39-14-2-1-3-15-39)24-6-10-26(11-7-24)35-31(42)34-25-8-4-23(5-9-25)28-36-30(40-17-20-43-21-18-40)38-32(37-28)45-27-12-19-44-22-27/h4-11,27H,1-3,12-22H2,(H,33,41)(H2,34,35,42)/t27-/m0/s1
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| InChIKey |
XTHMHKVQVQAVJS-MHZLTWQESA-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: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000048 | PC-3 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 18 nM
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TI
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LO
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