General Information of the Compound
| Compound ID |
CP0542625
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| Compound Name |
US8772283, 5
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| Structure |
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| Formula |
C28H25FN4O2
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| Molecular Weight |
468.532
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| Canonical SMILES |
NC1(CC(O)(C1)C1CC1)c1ccc(cc1)-c1nc2-c3c(F)cccc3OCn2c1-c1ccncc1
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| InChI |
InChI=1S/C28H25FN4O2/c29-21-2-1-3-22-23(21)26-32-24(25(33(26)16-35-22)18-10-12-31-13-11-18)17-4-6-19(7-5-17)27(30)14-28(34,15-27)20-8-9-20/h1-7,10-13,20,34H,8-9,14-16,30H2
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| InChIKey |
VJOYLHMPZGMJLH-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