General Information of the Compound
| Compound ID |
CP0356981
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| Compound Name |
12-oxa-3,4,6,20,25-pentazatetracyclo[19.3.1.02,6.013,18]pentacosa-1(25),2,4,13,15,17,21,23-octaen-19-one
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| Structure |
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| Formula |
C19H19N5O2
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| Molecular Weight |
349.394
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| Canonical SMILES |
O=C1Nc2cccc(n2)-c2nncn2CCCCCOc2ccccc12
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| InChI |
InChI=1S/C19H19N5O2/c25-19-14-7-2-3-9-16(14)26-12-5-1-4-11-24-13-20-23-18(24)15-8-6-10-17(21-15)22-19/h2-3,6-10,13H,1,4-5,11-12H2,(H,21,22,25)
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| InChIKey |
LYYWIICEGIMSTN-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: PT01533, Mitogen-activated protein kinase kinase kinase 5