General Information of the Compound
| Compound ID |
CP0429627
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| Compound Name |
US8772283, 59
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| Structure |
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| Formula |
C30H30N4O4
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| Molecular Weight |
510.594
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| Canonical SMILES |
CCONC(=O)c1ccc2-c3nc(c(-c4ccccc4)n3COc2c1)-c1ccc(cc1)C1(N)CC(C)(O)C1
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| InChI |
InChI=1S/C30H30N4O4/c1-3-38-33-28(35)21-11-14-23-24(15-21)37-18-34-26(20-7-5-4-6-8-20)25(32-27(23)34)19-9-12-22(13-10-19)30(31)16-29(2,36)17-30/h4-15,36H,3,16-18,31H2,1-2H3,(H,33,35)
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| InChIKey |
WIHDTFSONPAPTN-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