General Information of the Compound
| Compound ID |
CP0486569
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| Compound Name |
US8772283, 64
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| Structure |
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| Formula |
C28H24N2O5
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| Molecular Weight |
468.509
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| Canonical SMILES |
CC1(O)CC(O)(C1)c1ccc(cc1)-c1nc2-c3ccc(cc3OCn2c1-c1ccccc1)C(O)=O
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| InChI |
InChI=1S/C28H24N2O5/c1-27(33)14-28(34,15-27)20-10-7-17(8-11-20)23-24(18-5-3-2-4-6-18)30-16-35-22-13-19(26(31)32)9-12-21(22)25(30)29-23/h2-13,33-34H,14-16H2,1H3,(H,31,32)
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| InChIKey |
OWOHMQRWTOYGDX-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