General Information of the Compound
| Compound ID |
CP0900525
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| Compound Name |
SID124754746
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| Structure |
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| Formula |
C36H29F3N6O3
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| Molecular Weight |
650.661
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| Canonical SMILES |
N#Cc1ccc2nc(-c3ccc(CN4CCC(n5c(O)nc6ccccc65)CC4)cc3)c(-c3ccccc3)nc2c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C34H28N6O.C2HF3O2/c35-21-24-12-15-28-30(20-24)37-32(25-6-2-1-3-7-25)33(36-28)26-13-10-23(11-14-26)22-39-18-16-27(17-19-39)40-31-9-5-4-8-29(31)38-34(40)41;3-2(4,5)1(6)7/h1-15,20,27H,16-19,22H2,(H,38,41);(H,6,7)
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| InChIKey |
TVLGJULGJAVCSQ-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