General Information of the Compound
| Compound ID |
CP0381463
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| Compound Name |
N-[5-[3-methyl-4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
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| Structure |
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| Formula |
C27H30N8O3
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| Molecular Weight |
514.59
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)Nc2cc(C)on2)c(C)c1
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| InChI |
InChI=1S/C27H30N8O3/c1-17-14-20(6-9-22(17)28-27(37)30-25-15-18(2)38-33-25)23-16-24(32-31-23)29-26(36)19-4-7-21(8-5-19)35-12-10-34(3)11-13-35/h4-9,14-16H,10-13H2,1-3H3,(H2,28,30,33,37)(H2,29,31,32,36)
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| InChIKey |
MZOIOQHNRFBXRZ-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: PT00980, Aurora kinase A
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Protein ID: PT00864, Vascular endothelial growth factor receptor 2
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000071 | MOLM-13 | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 1 nM
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TI
LI
LO
TS
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