General Information of the Compound
| Compound ID |
CP0553269
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| Compound Name |
N-(3-chlorophenyl)-6-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxamide
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| Formula |
C27H28ClN7O
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| Molecular Weight |
502.022
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| Canonical SMILES |
CC(C)n1cc(cn1)-c1nc(Nc2ccc3CN(CCc3c2)C(=O)Nc2cccc(Cl)c2)ncc1C
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| InChI |
InChI=1S/C27H28ClN7O/c1-17(2)35-16-21(14-30-35)25-18(3)13-29-26(33-25)31-24-8-7-20-15-34(10-9-19(20)11-24)27(36)32-23-6-4-5-22(28)12-23/h4-8,11-14,16-17H,9-10,15H2,1-3H3,(H,32,36)(H,29,31,33)
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| InChIKey |
MAOHJGCUOWGMSL-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: PT01204, Receptor-type tyrosine-protein kinase FLT3
Protein ID: PT04886, Tyrosine-protein kinase JAK2
Protein ID: PT01214, Tyrosine-protein kinase JAK2