General Information of the Compound
| Compound ID |
CP0420226
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| Compound Name |
US8772283, 41
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| Structure |
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| Formula |
C27H25N5O2
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| Molecular Weight |
451.53
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| Canonical SMILES |
NC1(CC(O)(C1)C1CC1)c1ccc(cc1)-c1nc2-c3nccnc3OCn2c1-c1ccccc1
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| InChI |
InChI=1S/C27H25N5O2/c28-26(14-27(33,15-26)20-10-11-20)19-8-6-17(7-9-19)21-23(18-4-2-1-3-5-18)32-16-34-25-22(24(32)31-21)29-12-13-30-25/h1-9,12-13,20,33H,10-11,14-16,28H2
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| InChIKey |
OFNWQVSLGHRSNF-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