General Information of the Compound
| Compound ID |
CP0473487
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| Compound Name |
US8772283, 37
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| Structure |
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| Formula |
C25H22N4O
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| Molecular Weight |
394.478
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| Canonical SMILES |
NC1(CCC1)c1ccc(cc1)-c1nc2-c3ccncc3OCn2c1-c1ccccc1
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| InChI |
InChI=1S/C25H22N4O/c26-25(12-4-13-25)19-9-7-17(8-10-19)22-23(18-5-2-1-3-6-18)29-16-30-21-15-27-14-11-20(21)24(29)28-22/h1-3,5-11,14-15H,4,12-13,16,26H2
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| InChIKey |
KLWQEODJBGDVRP-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