General Information of the Compound
| Compound ID |
CP0527451
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| Compound Name |
US8772283, 51
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| Structure |
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| Formula |
C27H26N4O3
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| Molecular Weight |
454.53
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| Canonical SMILES |
COc1ccc2OCn3c(nc(c3-c3ccccc3)-c3ccc(cc3)C3(N)CC(C)(O)C3)-c2n1
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| InChI |
InChI=1S/C27H26N4O3/c1-26(32)14-27(28,15-26)19-10-8-17(9-11-19)22-24(18-6-4-3-5-7-18)31-16-34-20-12-13-21(33-2)29-23(20)25(31)30-22/h3-13,32H,14-16,28H2,1-2H3
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| InChIKey |
NFFMKBBFNKWPHO-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