General Information of the Compound
| Compound ID |
CP0415897
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| Compound Name |
US8772283, 4
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| Structure |
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| Formula |
C27H24FN3O2S
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| Molecular Weight |
473.573
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| Canonical SMILES |
NC1(CC(O)(C1)C1CC1)c1ccc(cc1)-c1nc2-c3c(F)cccc3OCn2c1-c1ccsc1
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| InChI |
InChI=1S/C27H24FN3O2S/c28-20-2-1-3-21-22(20)25-30-23(24(31(25)15-33-21)17-10-11-34-12-17)16-4-6-18(7-5-16)26(29)13-27(32,14-26)19-8-9-19/h1-7,10-12,19,32H,8-9,13-15,29H2
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| InChIKey |
HZDBGBNXZVHWNJ-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