General Information of the Compound
| Compound ID |
CP0568288
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| Compound Name |
N-tert-butyl-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-carboxamide
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| Formula |
C21H25N5O3
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| Molecular Weight |
395.463
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| Canonical SMILES |
CC(C)(C)NC(=O)c1ccc-2cc1OCCOCCNc1ccn3ncc-2c3n1
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| InChI |
InChI=1S/C21H25N5O3/c1-21(2,3)25-20(27)15-5-4-14-12-17(15)29-11-10-28-9-7-22-18-6-8-26-19(24-18)16(14)13-23-26/h4-6,8,12-13H,7,9-11H2,1-3H3,(H,22,24)(H,25,27)
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| InChIKey |
YCFFONJEHNSECY-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: PT01412, BMP-2-inducible protein kinase
Protein ID: PT01210, Casein kinase II subunit alpha
Protein ID: PT01920, Cyclin-G-associated kinase
Protein ID: PT01212, Serine/threonine-protein kinase 17A
Protein ID: PT02503, Serine/threonine-protein kinase 17B