General Information of the Compound
| Compound ID |
CP0910464
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| Compound Name |
SID103050677
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| Structure |
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| Formula |
C26H24F3N5O2
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| Molecular Weight |
495.505
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| Canonical SMILES |
CN(C)CCNC(=O)c1cccc(-c2cnc3c(NC=O)cc(-c4cccc(C(F)(F)F)c4)cn23)c1
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| InChI |
InChI=1S/C26H24F3N5O2/c1-33(2)10-9-30-25(36)19-7-3-6-18(11-19)23-14-31-24-22(32-16-35)13-20(15-34(23)24)17-5-4-8-21(12-17)26(27,28)29/h3-8,11-16H,9-10H2,1-2H3,(H,30,36)(H,32,35)
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| InChIKey |
RZOHPABQGJVBAL-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: PT06124, Paired box protein Pax-8