General Information of the Compound
| Compound ID |
CP0562844
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| Compound Name |
2-(1-adamantyl)-N-[12-[4-[4-[[8-(3-aminophenyl)-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]dodecyl]acetamide
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| Structure |
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| Formula |
C49H68N8O3
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| Molecular Weight |
817.136
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(N)c3)c2n1)N1CCN(CCCCCCCCCCCCNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1
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| InChI |
InChI=1S/C49H68N8O3/c1-35-24-46(59)57(41-15-13-14-39(50)28-41)47-42(35)34-52-48(54-47)53-43-17-16-40(29-44(43)60-2)56-22-20-55(21-23-56)19-12-10-8-6-4-3-5-7-9-11-18-51-45(58)33-49-30-36-25-37(31-49)27-38(26-36)32-49/h13-17,24,28-29,34,36-38H,3-12,18-23,25-27,30-33,50H2,1-2H3,(H,51,58)(H,52,53,54)
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| InChIKey |
IBJVWVMAZRVJBI-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