General Information of the Compound
| Compound ID |
CP0864849
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| Compound Name |
SID103060209
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| Structure |
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| Formula |
C23H17ClF3N3O3
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| Molecular Weight |
475.854
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| Canonical SMILES |
CC(=O)Nc1ccc(-c2ccnc3c2CC(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)O3)cc1
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| InChI |
InChI=1S/C23H17ClF3N3O3/c1-12(31)29-14-4-2-13(3-5-14)16-8-9-28-22-17(16)11-20(33-22)21(32)30-15-6-7-19(24)18(10-15)23(25,26)27/h2-10,20H,11H2,1H3,(H,29,31)(H,30,32)
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| InChIKey |
VXQPVLPSLSPSCT-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