General Information of the Compound
| Compound ID |
CP0857492
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| Compound Name |
SID124754940
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| Structure |
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| Formula |
C26H31F3N2O4
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| Molecular Weight |
492.538
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| Canonical SMILES |
CCCCCc1c(-c2ccccc2OC)ncn1CCc1ccccc1OC.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C24H30N2O2.C2HF3O2/c1-4-5-6-13-21-24(20-12-8-10-15-23(20)28-3)25-18-26(21)17-16-19-11-7-9-14-22(19)27-2;3-2(4,5)1(6)7/h7-12,14-15,18H,4-6,13,16-17H2,1-3H3;(H,6,7)
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| InChIKey |
PRFPPGHYRVUNRZ-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