General Information of the Compound
| Compound ID |
CP0881324
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| Compound Name |
SID87235992
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| Structure |
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| Formula |
C22H22F3N3O5
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| Molecular Weight |
465.428
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| Canonical SMILES |
Cc1ccnc(NC(=O)CCCOc2cc(=O)n(C)c3ccccc23)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C20H21N3O3.C2HF3O2/c1-14-9-10-21-18(12-14)22-19(24)8-5-11-26-17-13-20(25)23(2)16-7-4-3-6-15(16)17;3-2(4,5)1(6)7/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H,21,22,24);(H,6,7)
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| InChIKey |
JAOINXWEFKZYIL-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