General Information of the Compound
| Compound ID |
CP0444171
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| Compound Name |
US8772283, 54
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| Structure |
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| Formula |
C30H30N4O3
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| Molecular Weight |
494.595
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| Canonical SMILES |
CN(C)C(=O)c1ccc2OCn3c(nc(c3-c3ccccc3)-c3ccc(cc3)C3(N)CC(C)(O)C3)-c2c1
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| InChI |
InChI=1S/C30H30N4O3/c1-29(36)16-30(31,17-29)22-12-9-19(10-13-22)25-26(20-7-5-4-6-8-20)34-18-37-24-14-11-21(28(35)33(2)3)15-23(24)27(34)32-25/h4-15,36H,16-18,31H2,1-3H3
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| InChIKey |
FIZJSLYYMQWTHP-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