General Information of the Compound
| Compound ID |
CP0290173
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| Compound Name |
(2S,5R)-4-[6-(3-amino-1H-indazol-6-yl)-2-(methylamino)-4-pyrimidinyl]-N-cyclohexyl-5-methyl-2-morpholinecarboxamide
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| Structure |
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| Formula |
C24H32N8O2
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| Molecular Weight |
464.574
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| Canonical SMILES |
CNc1nc(cc(n1)-c1ccc2c(N)n[nH]c2c1)N1C[C@H](OC[C@H]1C)C(=O)NC1CCCCC1
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| InChI |
InChI=1S/C24H32N8O2/c1-14-13-34-20(23(33)27-16-6-4-3-5-7-16)12-32(14)21-11-18(28-24(26-2)29-21)15-8-9-17-19(10-15)30-31-22(17)25/h8-11,14,16,20H,3-7,12-13H2,1-2H3,(H,27,33)(H3,25,30,31)(H,26,28,29)/t14-,20+/m1/s1
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| InChIKey |
ANERBUIPYRATIP-VLIAUNLRSA-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: PT01093, 3-phosphoinositide-dependent protein kinase 1
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000082 | HEL | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 19000 nM
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TI
LI
LO
TS
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