General Information of the Compound
| Compound ID |
CP0035637
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| Compound Name |
1,1-Dimethylethyl{(3R,5R)-1-[2-Amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-5-methyl-3-piperidinyl}methylcarbamate
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| Structure |
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| Formula |
C24H34N8O2
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| Molecular Weight |
466.59
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| Canonical SMILES |
CNc1nc(cc(n1)-c1ccc2c(N)n[nH]c2c1)N1C[C@H](C)C[C@H](C1)N(C)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C24H34N8O2/c1-14-9-16(31(6)23(33)34-24(2,3)4)13-32(12-14)20-11-18(27-22(26-5)28-20)15-7-8-17-19(10-15)29-30-21(17)25/h7-8,10-11,14,16H,9,12-13H2,1-6H3,(H3,25,29,30)(H,26,27,28)/t14-,16-/m1/s1
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| InChIKey |
FGVBXWYMYMNXGE-GDBMZVCRSA-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 = 18000 nM
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LO
TS
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| CL000248 | OCI-AML-2 | Homo sapiens (Human) | 1 |
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IC50 = 380 nM
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TI
LI
LO
TS
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