General Information of the Compound
| Compound ID |
CP0852570
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| Compound Name |
SID99359775
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| Structure |
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| Formula |
C12H16N4S
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| Molecular Weight |
248.355
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| Canonical SMILES |
CC(=NNC(=S)N1CCCC1)c1ccccn1
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| InChI |
InChI=1S/C12H16N4S/c1-10(11-6-2-3-7-13-11)14-15-12(17)16-8-4-5-9-16/h2-3,6-7H,4-5,8-9H2,1H3,(H,15,17)
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| InChIKey |
KJWUMRFUJFIVGM-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