General Information of the Compound
| Compound ID |
CP0440317
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| Compound Name |
(E)-N-(cyclopropylmethyl)-4-(dimethylamino)-N-[7-methoxy-4-(2-methylanilino)imidazo[1,5-a]quinoxalin-8-yl]but-2-enamide
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| Structure |
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| Formula |
C28H32N6O2
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| Molecular Weight |
484.604
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| Canonical SMILES |
COc1cc2nc(Nc3ccccc3C)c3cncn3c2cc1N(CC1CC1)C(=O)\C=C\CN(C)C
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| InChI |
InChI=1S/C28H32N6O2/c1-19-8-5-6-9-21(19)30-28-25-16-29-18-34(25)23-15-24(26(36-4)14-22(23)31-28)33(17-20-11-12-20)27(35)10-7-13-32(2)3/h5-10,14-16,18,20H,11-13,17H2,1-4H3,(H,30,31)/b10-7+
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| InChIKey |
VNIICVCBGDTYHE-JXMROGBWSA-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: PT01308, Tyrosine-protein kinase BTK
Protein ID: PT00875, Tyrosine-protein kinase Lyn