General Information of the Compound
| Compound ID |
CP0456534
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| Compound Name |
US8772283, 50
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| Structure |
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| Formula |
C27H26N4O2
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| Molecular Weight |
438.531
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| Canonical SMILES |
Cc1cnc2-c3nc(c(-c4ccccc4)n3COc2c1)-c1ccc(cc1)C1(N)CC(C)(O)C1
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| InChI |
InChI=1S/C27H26N4O2/c1-17-12-21-23(29-13-17)25-30-22(24(31(25)16-33-21)19-6-4-3-5-7-19)18-8-10-20(11-9-18)27(28)14-26(2,32)15-27/h3-13,32H,14-16,28H2,1-2H3
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| InChIKey |
SCTHSAWUYGMNLQ-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