General Information of the Compound
| Compound ID |
CP0804944
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| Compound Name |
SID17388539
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| Structure |
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| Formula |
C22H22N8O2
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| Molecular Weight |
430.472
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| Canonical SMILES |
COc1ccc(O)c(/C=N/Nc2nc(Nc3ccccc3)nc(-n3nc(C)cc3C)n2)c1
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| InChI |
InChI=1S/C22H22N8O2/c1-14-11-15(2)30(29-14)22-26-20(24-17-7-5-4-6-8-17)25-21(27-22)28-23-13-16-12-18(32-3)9-10-19(16)31/h4-13,31H,1-3H3,(H2,24,25,26,27,28)/b23-13+
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| InChIKey |
OXCULTGVCIXFKL-YDZHTSKRSA-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06101, Latent membrane protein 1