General Information of the Compound
| Compound ID |
CP0826479
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| Compound Name |
SID49735130
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| Structure |
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| Formula |
C20H27N9O3
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| Molecular Weight |
441.496
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| Canonical SMILES |
CCCN(CCC)Cc1c(C(=O)N/N=C/C(C)=C\c2ccco2)nnn1-c1nonc1N
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| InChI |
InChI=1S/C20H27N9O3/c1-4-8-28(9-5-2)13-16-17(23-27-29(16)19-18(21)25-32-26-19)20(30)24-22-12-14(3)11-15-7-6-10-31-15/h6-7,10-12H,4-5,8-9,13H2,1-3H3,(H2,21,25)(H,24,30)/b14-11-,22-12+
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| InChIKey |
QZAKIHCFBWFSFX-LJWIEMNISA-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: PT06109, Geminin
Protein ID: PT06172, Mothers against decapentaplegic homolog 3
Protein ID: PT06124, Paired box protein Pax-8