General Information of the Compound
| Compound ID |
CP0864489
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| Compound Name |
SID99358331
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| Structure |
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| Formula |
C13H12N4OS
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| Molecular Weight |
272.333
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| Canonical SMILES |
Oc1ccc(C=NNC(=S)Nc2ccccc2)nc1
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| InChI |
InChI=1S/C13H12N4OS/c18-12-7-6-11(14-9-12)8-15-17-13(19)16-10-4-2-1-3-5-10/h1-9,18H,(H2,16,17,19)
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| InChIKey |
GFLMEFXWINCBTI-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06101, Latent membrane protein 1