General Information of the Compound
| Compound ID |
CP0831902
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| Compound Name |
SID24837680
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| Structure |
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| Formula |
C26H32ClF3N2
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| Molecular Weight |
465.003
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| Canonical SMILES |
Cc1cc(C(C)(C)C)cc(C)c1C[n+]1c2n(c3ccc(C(F)(F)F)cc31)CCCCC2.[Cl-]
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| InChI |
InChI=1S/C26H32F3N2.ClH/c1-17-13-20(25(3,4)5)14-18(2)21(17)16-31-23-15-19(26(27,28)29)10-11-22(23)30-12-8-6-7-9-24(30)31;/h10-11,13-15H,6-9,12,16H2,1-5H3;1H/q+1;/p-1
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| InChIKey |
CYGLVPDMUFBARI-UHFFFAOYSA-M
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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: PT06033, Microphthalmia-associated transcription factor
Protein ID: PT06124, Paired box protein Pax-8