General Information of the Compound
| Compound ID |
CP0550534
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| Compound Name |
HG-9-91-01 (1)
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| Synonyms |
HG-9-91-01
HY-15776
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| Structure |
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| Formula |
C32H37N7O3
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| Molecular Weight |
567.694
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| Canonical SMILES |
COc1ccc(N(C(=O)Nc2c(C)cccc2C)c2cc(Nc3ccc(cc3)N3CCN(C)CC3)ncn2)c(OC)c1
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| InChI |
InChI=1S/C32H37N7O3/c1-22-7-6-8-23(2)31(22)36-32(40)39(27-14-13-26(41-4)19-28(27)42-5)30-20-29(33-21-34-30)35-24-9-11-25(12-10-24)38-17-15-37(3)16-18-38/h6-14,19-21H,15-18H2,1-5H3,(H,36,40)(H,33,34,35)
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| InChIKey |
UYUHRKLITDJEHB-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: PT01668, Serine/threonine-protein kinase SIK1
Protein ID: PT01759, Serine/threonine-protein kinase SIK2
Protein ID: PT01046, Serine/threonine-protein kinase SIK3
Clinical Information about the Compound