General Information of the Compound
| Compound ID |
CP0243780
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| Compound Name |
3-amino-2-[(2S)-1-prop-2-enoylpiperidin-2-yl]-5-[4-[[4-(trifluoromethyl)pyridin-2-yl]carbamoyl]phenyl]imidazole-4-carboxamide
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| Structure |
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| Formula |
C25H24F3N7O3
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| Molecular Weight |
527.507
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| Canonical SMILES |
NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F
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| InChI |
InChI=1S/C25H24F3N7O3/c1-2-19(36)34-12-4-3-5-17(34)23-33-20(21(22(29)37)35(23)30)14-6-8-15(9-7-14)24(38)32-18-13-16(10-11-31-18)25(26,27)28/h2,6-11,13,17H,1,3-5,12,30H2,(H2,29,37)(H,31,32,38)/t17-/m0/s1
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| InChIKey |
WIZIQUFUGUEWKY-KRWDZBQOSA-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: PT01669, Cytoplasmic tyrosine-protein kinase BMX
Protein ID: PT00922, Epidermal growth factor receptor
Protein ID: PT01308, Tyrosine-protein kinase BTK
Protein ID: PT01314, Tyrosine-protein kinase ITK/TSK