General Information of the Compound
| Compound ID |
CP0552296
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| Compound Name |
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-carboxylate
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| Formula |
C18H18N4O4
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| Molecular Weight |
354.366
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| Canonical SMILES |
COC(=O)c1ccc-2cc1OCCOCCNc1ccn3ncc-2c3n1
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| InChI |
InChI=1S/C18H18N4O4/c1-24-18(23)13-3-2-12-10-15(13)26-9-8-25-7-5-19-16-4-6-22-17(21-16)14(12)11-20-22/h2-4,6,10-11H,5,7-9H2,1H3,(H,19,21)
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| InChIKey |
JHECKRVNOFUEMM-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'