General Information of the Compound
| Compound ID |
CP0561985
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| Compound Name |
3-amino-5-[4-[(4-phenylpyridin-2-yl)carbamoyl]phenyl]-2-[(2S)-1-prop-2-enoylpiperidin-2-yl]imidazole-4-carboxamide
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| Structure |
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| Formula |
C30H29N7O3
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| Molecular Weight |
535.608
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| Canonical SMILES |
NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)-c1ccccc1
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| InChI |
InChI=1S/C30H29N7O3/c1-2-25(38)36-17-7-6-10-23(36)29-35-26(27(28(31)39)37(29)32)20-11-13-21(14-12-20)30(40)34-24-18-22(15-16-33-24)19-8-4-3-5-9-19/h2-5,8-9,11-16,18,23H,1,6-7,10,17,32H2,(H2,31,39)(H,33,34,40)/t23-/m0/s1
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| InChIKey |
AJXRZKIHWZAXJZ-QHCPKHFHSA-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