General Information of the Compound
| Compound ID |
CP0461959
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| Compound Name |
US8772283, 20
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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 |
COc1ccc2OCn3c(nc(c3-c3ccccc3)-c3ccc(cc3)C3(N)CC(C)(O)C3)-c2c1
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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)31-17-34-23-13-12-21(33-2)14-22(23)26(31)30-24/h3-14,32H,15-17,29H2,1-2H3
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| InChIKey |
RMBLXWOYENNPNV-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