General Information of the Compound
| Compound ID |
CP0759385
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| Compound Name |
SID17411638
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| Structure |
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| Formula |
C20H17N7O
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| Molecular Weight |
371.404
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| Canonical SMILES |
Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N/Nc1nncc(-c2ccccc2)n1
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| InChI |
InChI=1S/C20H17N7O/c1-14-17(19(28)27(26-14)16-10-6-3-7-11-16)12-21-24-20-23-18(13-22-25-20)15-8-4-2-5-9-15/h2-13,26H,1H3,(H,23,24,25)/b21-12+
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| InChIKey |
OWKKQXYVVKQSHP-CIAFOILYSA-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06101, Latent membrane protein 1