General Information of the Compound
| Compound ID |
CP0907184
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| Compound Name |
SID103076710
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| Structure |
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| Formula |
C27H26F3N5O2
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| Molecular Weight |
509.532
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| Canonical SMILES |
CC(=O)Nc1cc(-c2cccc(C(=O)NCCN(C)C)c2)cn2c(-c3cccc(C(F)(F)F)c3)cnc12
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| InChI |
InChI=1S/C27H26F3N5O2/c1-17(36)33-23-14-21(18-6-4-8-20(12-18)26(37)31-10-11-34(2)3)16-35-24(15-32-25(23)35)19-7-5-9-22(13-19)27(28,29)30/h4-9,12-16H,10-11H2,1-3H3,(H,31,37)(H,33,36)
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| InChIKey |
RUOMSYCGLPORFG-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