General Information of the Compound
| Compound ID |
CP0868308
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| Compound Name |
SID121285024
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| Structure |
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| Formula |
C25H28F3N7O2
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| Molecular Weight |
515.54
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| Canonical SMILES |
CCCCn1nnnc1C(c1ccccc1OC(F)(F)F)N1CCC(n2c(O)nc3ccccc32)CC1
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| InChI |
InChI=1S/C25H28F3N7O2/c1-2-3-14-34-23(30-31-32-34)22(18-8-4-7-11-21(18)37-25(26,27)28)33-15-12-17(13-16-33)35-20-10-6-5-9-19(20)29-24(35)36/h4-11,17,22H,2-3,12-16H2,1H3,(H,29,36)
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| InChIKey |
GCEPXPDVHOUUGV-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: PT06172, Mothers against decapentaplegic homolog 3