General Information of the Compound
| Compound ID |
CP0406468
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| Compound Name |
1-[[5-[1,1,2,2,3,3,3-heptakis(fluoranyl)propyl]isoquinolin-1-yl]methylideneamino]thiourea
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| Structure |
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| Formula |
C14H9F7N4S
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| Molecular Weight |
398.307
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| Canonical SMILES |
NC(=S)NN=Cc1nccc2c(cccc12)C(F)(F)C(F)(F)C(F)(F)F
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| InChI |
InChI=1S/C14H9F7N4S/c15-12(16,13(17,18)14(19,20)21)9-3-1-2-8-7(9)4-5-23-10(8)6-24-25-11(22)26/h1-6H,(H3,22,25,26)
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| InChIKey |
IYJACKLHQZCAOV-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