General Information of the Compound
| Compound ID |
CP0460013
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| Compound Name |
US8772283, 21
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| Structure |
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| Formula |
C28H27N3O3
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| Molecular Weight |
453.542
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| Canonical SMILES |
COc1ccc2-c3nc(c(-c4ccccc4)n3COc2c1)-c1ccc(cc1)C1(N)CC(C)(O)C1
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| InChI |
InChI=1S/C28H27N3O3/c1-27(32)15-28(29,16-27)20-10-8-18(9-11-20)24-25(19-6-4-3-5-7-19)31-17-34-23-14-21(33-2)12-13-22(23)26(31)30-24/h3-14,32H,15-17,29H2,1-2H3
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| InChIKey |
VMZWEBNKWDZUBL-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