General Information of the Compound
| Compound ID |
CP0573911
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| Compound Name |
N-[3-[2-[4-[4-[8-[[2-(1-adamantyl)acetyl]amino]octyl]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 |
C48H62N8O4
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| Molecular Weight |
815.076
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(NC(=O)C=C)c3)c2n1)N1CCN(CCCCCCCCNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1
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| InChI |
InChI=1S/C48H62N8O4/c1-4-43(57)51-37-12-11-13-39(26-37)56-45(59)22-33(2)40-32-50-47(53-46(40)56)52-41-15-14-38(27-42(41)60-3)55-20-18-54(19-21-55)17-10-8-6-5-7-9-16-49-44(58)31-48-28-34-23-35(29-48)25-36(24-34)30-48/h4,11-15,22,26-27,32,34-36H,1,5-10,16-21,23-25,28-31H2,2-3H3,(H,49,58)(H,51,57)(H,50,52,53)
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| InChIKey |
BXAWAIYNEJHEJJ-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