General Information of the Compound
| Compound ID |
CP0546214
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| Compound Name |
N-[3-[2-[4-[4-[14-[[2-(1-adamantyl)acetyl]amino]tetradecyl]piperazin-1-yl]-2-methoxyanilino]-5-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C54H74N8O4
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| Molecular Weight |
899.238
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(CCCCCCCCCCCCCCNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1
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| InChI |
InChI=1S/C54H74N8O4/c1-4-49(63)57-43-18-17-19-45(32-43)62-51(65)28-39(2)46-38-56-53(59-52(46)62)58-47-21-20-44(33-48(47)66-3)61-26-24-60(25-27-61)23-16-14-12-10-8-6-5-7-9-11-13-15-22-55-50(64)37-54-34-40-29-41(35-54)31-42(30-40)36-54/h4,17-21,28,32-33,38,40-42H,1,5-16,22-27,29-31,34-37H2,2-3H3,(H,55,64)(H,57,63)(H,56,58,59)
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| InChIKey |
SWZQWGOUQCGYPO-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