General Information of the Compound
| Compound ID |
CP0865637
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| Compound Name |
SID103074105
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| Structure |
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| Formula |
C20H13Cl2FN2O2
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| Molecular Weight |
403.24
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| Canonical SMILES |
O=C(Nc1ccc(F)c(Cl)c1)C1Cc2c(-c3ccc(Cl)cc3)ccnc2O1
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| InChI |
InChI=1S/C20H13Cl2FN2O2/c21-12-3-1-11(2-4-12)14-7-8-24-20-15(14)10-18(27-20)19(26)25-13-5-6-17(23)16(22)9-13/h1-9,18H,10H2,(H,25,26)
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| InChIKey |
WPNBMLPXHADMHP-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