General Information of the Compound
| Compound ID |
CP0573692
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| Compound Name |
US8772283, 11
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| Structure |
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| Formula |
C29H27N3O2
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| Molecular Weight |
449.554
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| Canonical SMILES |
NC1(CC(O)(C1)C1CC1)c1ccc(cc1)-c1nc2-c3ccccc3OCn2c1-c1ccccc1
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| InChI |
InChI=1S/C29H27N3O2/c30-28(16-29(33,17-28)22-14-15-22)21-12-10-19(11-13-21)25-26(20-6-2-1-3-7-20)32-18-34-24-9-5-4-8-23(24)27(32)31-25/h1-13,22,33H,14-18,30H2
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| InChIKey |
WXAOGAQSUJSHFI-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