General Information of the Compound
| Compound ID |
CP0357567
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| Compound Name |
N-(2,6-diethylphenyl)-2-[4-(4-methylpiperazin-1-yl)-2-(prop-2-enoylamino)anilino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
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| Structure |
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| Formula |
C35H40N8O2
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| Molecular Weight |
604.759
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| Canonical SMILES |
CCc1cccc(CC)c1NC(=O)c1ccn-2c1CCc1cnc(Nc3ccc(cc3NC(=O)C=C)N3CCN(C)CC3)nc-21
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| InChI |
InChI=1S/C35H40N8O2/c1-5-23-9-8-10-24(6-2)32(23)39-34(45)27-15-16-43-30(27)14-11-25-22-36-35(40-33(25)43)38-28-13-12-26(21-29(28)37-31(44)7-3)42-19-17-41(4)18-20-42/h7-10,12-13,15-16,21-22H,3,5-6,11,14,17-20H2,1-2,4H3,(H,37,44)(H,39,45)(H,36,38,40)
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| InChIKey |
QMTKZAHTDPRIFJ-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: PT01348, Dual specificity protein kinase TTK
Protein ID: PT01343, Fibroblast growth factor receptor 4
Protein ID: PT01231, MAP kinase-activated protein kinase 2
Protein ID: PT01773, MAP kinase-activated protein kinase 3
Protein ID: PT03059, Ribosomal protein S6 kinase beta-2