General Information of the Compound
| Compound ID |
CP0654380
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| Compound Name |
SID17514945
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| Structure |
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| Formula |
C18H18N6
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| Molecular Weight |
318.384
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| Canonical SMILES |
CCCn1c(/C=N/Nc2nc3ccccc3[nH]2)nc2ccccc21
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| InChI |
InChI=1S/C18H18N6/c1-2-11-24-16-10-6-5-9-15(16)20-17(24)12-19-23-18-21-13-7-3-4-8-14(13)22-18/h3-10,12H,2,11H2,1H3,(H2,21,22,23)/b19-12+
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| InChIKey |
BKJBGIWYBDUHIM-XDHOZWIPSA-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