General Information of the Compound
| Compound ID |
CP0551616
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| Compound Name |
N-[12-[4-[4-[[8-(3-acetamidophenyl)-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]dodecyl]-2-(1-adamantyl)acetamide
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| Structure |
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| Formula |
C51H70N8O4
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| Molecular Weight |
859.173
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(NC(C)=O)c3)c2n1)N1CCN(CCCCCCCCCCCCNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1
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| InChI |
InChI=1S/C51H70N8O4/c1-36-25-48(62)59(43-16-14-15-41(29-43)54-37(2)60)49-44(36)35-53-50(56-49)55-45-18-17-42(30-46(45)63-3)58-23-21-57(22-24-58)20-13-11-9-7-5-4-6-8-10-12-19-52-47(61)34-51-31-38-26-39(32-51)28-40(27-38)33-51/h14-18,25,29-30,35,38-40H,4-13,19-24,26-28,31-34H2,1-3H3,(H,52,61)(H,54,60)(H,53,55,56)
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| InChIKey |
SOOCPBLZCOVDIQ-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: PT00845, RAC-alpha serine/threonine-protein kinase
Protein ID: PT01131, RAC-beta serine/threonine-protein kinase
Protein ID: PT01022, RAC-gamma serine/threonine-protein kinase