General Information of the Compound
| Compound ID |
CP0537525
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| Compound Name |
13-[(2-methylpropan-2-yl)oxycarbonyl]-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid
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| Formula |
C22H24N4O6
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| Molecular Weight |
440.456
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCOCCOc2cc(ccc2C(O)=O)-c2cnn3ccc1nc23
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| InChI |
InChI=1S/C22H24N4O6/c1-22(2,3)32-21(29)25-8-9-30-10-11-31-17-12-14(4-5-15(17)20(27)28)16-13-23-26-7-6-18(25)24-19(16)26/h4-7,12-13H,8-11H2,1-3H3,(H,27,28)
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| InChIKey |
PZILEJGYWZTBCD-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: PT01210, Casein kinase II subunit alpha
Protein ID: PT01246, Casein kinase II subunit alpha'