General Information of the Compound
| Compound ID |
CP0909984
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| Compound Name |
SID103076663
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| Structure |
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| Formula |
C19H16ClF2N3O2
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| Molecular Weight |
391.805
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| Canonical SMILES |
CCCOc1ccc(F)cc1-c1cc(C(=O)Nc2ccc(F)c(Cl)c2)[nH]n1
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| InChI |
InChI=1S/C19H16ClF2N3O2/c1-2-7-27-18-6-3-11(21)8-13(18)16-10-17(25-24-16)19(26)23-12-4-5-15(22)14(20)9-12/h3-6,8-10H,2,7H2,1H3,(H,23,26)(H,24,25)
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| InChIKey |
WUSLHOOUKWRXFH-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