General Information of the Compound
| Compound ID |
CP0431452
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| Compound Name |
US8772283, 9
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| Structure |
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| Formula |
C27H24FN3O2
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| Molecular Weight |
441.506
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| Canonical SMILES |
CC1(O)CC(N)(C1)c1ccc(cc1)-c1nc2-c3ccc(F)cc3OCn2c1-c1ccccc1
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| InChI |
InChI=1S/C27H24FN3O2/c1-26(32)14-27(29,15-26)19-9-7-17(8-10-19)23-24(18-5-3-2-4-6-18)31-16-33-22-13-20(28)11-12-21(22)25(31)30-23/h2-13,32H,14-16,29H2,1H3
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| InChIKey |
CSQHKJHWPNRMFJ-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