General Information of the Compound
| Compound ID |
CP0466312
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| Compound Name |
13-O-tert-butyl 5-O-methyl 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-5,13-dicarboxylate
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| Structure |
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| Formula |
C23H26N4O6
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| Molecular Weight |
454.483
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| Canonical SMILES |
COC(=O)c1ccc-2cc1OCCOCCN(C(=O)OC(C)(C)C)c1ccn3ncc-2c3n1
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| InChI |
InChI=1S/C23H26N4O6/c1-23(2,3)33-22(29)26-9-10-31-11-12-32-18-13-15(5-6-16(18)21(28)30-4)17-14-24-27-8-7-19(26)25-20(17)27/h5-8,13-14H,9-12H2,1-4H3
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| InChIKey |
IBUADYJRFXMRSC-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'