General Information of the Compound
| Compound ID |
CP0463177
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| Compound Name |
US8772283, 27
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| Structure |
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| Formula |
C28H26N4O2
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| Molecular Weight |
450.542
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| Canonical SMILES |
NC1(CC(O)(C1)C1CC1)c1ccc(cc1)-c1nc2-c3ncccc3OCn2c1-c1ccccc1
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| InChI |
InChI=1S/C28H26N4O2/c29-27(15-28(33,16-27)21-12-13-21)20-10-8-18(9-11-20)23-25(19-5-2-1-3-6-19)32-17-34-22-7-4-14-30-24(22)26(32)31-23/h1-11,14,21,33H,12-13,15-17,29H2
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| InChIKey |
FBUCOOIGVSXPDV-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