General Information of the Compound
| Compound ID |
CP0907695
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| Compound Name |
SID121284977
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| Structure |
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| Formula |
C28H26F3N7O3
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| Molecular Weight |
565.556
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| Canonical SMILES |
COc1ccc(-n2nnnc2C(c2ccccc2OC(F)(F)F)N2CCC(n3c(O)nc4ccccc43)CC2)cc1
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| InChI |
InChI=1S/C28H26F3N7O3/c1-40-20-12-10-19(11-13-20)38-26(33-34-35-38)25(21-6-2-5-9-24(21)41-28(29,30)31)36-16-14-18(15-17-36)37-23-8-4-3-7-22(23)32-27(37)39/h2-13,18,25H,14-17H2,1H3,(H,32,39)
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| InChIKey |
GHTDYGDPRCLIQW-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