General Information of the Compound
| Compound ID |
CP0420231
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| Compound Name |
US8772283, 6
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| Structure |
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| Formula |
C25H22FN3O2S
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| Molecular Weight |
447.535
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| Canonical SMILES |
CC1(O)CC(N)(C1)c1ccc(cc1)-c1nc2-c3c(F)cccc3OCn2c1-c1ccsc1
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| InChI |
InChI=1S/C25H22FN3O2S/c1-24(30)12-25(27,13-24)17-7-5-15(6-8-17)21-22(16-9-10-32-11-16)29-14-31-19-4-2-3-18(26)20(19)23(29)28-21/h2-11,30H,12-14,27H2,1H3
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| InChIKey |
AGBCODKMADFEEP-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