General Information of the Compound
| Compound ID |
CP0867314
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| Compound Name |
SID17515747
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| Structure |
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| Formula |
C27H28F2N4OS
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| Molecular Weight |
494.611
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| Canonical SMILES |
O=C(NCc1nnc(SCc2ccc(F)cc2)n1-c1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C27H28F2N4OS/c28-21-3-1-17(2-4-21)16-35-26-32-31-24(33(26)23-7-5-22(29)6-8-23)15-30-25(34)27-12-18-9-19(13-27)11-20(10-18)14-27/h1-8,18-20H,9-16H2,(H,30,34)
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| InChIKey |
YGRMWLKTCASTIX-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: PT06172, Mothers against decapentaplegic homolog 3