General Information of the Compound
| Compound ID |
CP0407817
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| Compound Name |
US8772283, 24
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| Structure |
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| Formula |
C29H29N3O3
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| Molecular Weight |
467.569
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| Canonical SMILES |
CCOc1cccc2OCn3c(nc(c3-c3ccccc3)-c3ccc(cc3)C3(N)CC(C)(O)C3)-c12
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| InChI |
InChI=1S/C29H29N3O3/c1-3-34-22-10-7-11-23-24(22)27-31-25(26(32(27)18-35-23)20-8-5-4-6-9-20)19-12-14-21(15-13-19)29(30)16-28(2,33)17-29/h4-15,33H,3,16-18,30H2,1-2H3
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| InChIKey |
HSCDRUNDSGLKLP-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