General Information of the Compound
| Compound ID |
CP0849483
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| Compound Name |
SID99356804
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| Structure |
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| Formula |
C25H30ClFN4O
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| Molecular Weight |
456.993
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| Canonical SMILES |
CCCCCCN1C[C@H](n2cc(-c3ccc(F)cc3)nn2)[C@@H](O)C[C@@H]1c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H30ClFN4O/c1-2-3-4-5-14-30-17-24(25(32)15-23(30)19-6-10-20(26)11-7-19)31-16-22(28-29-31)18-8-12-21(27)13-9-18/h6-13,16,23-25,32H,2-5,14-15,17H2,1H3/t23-,24+,25+/m1/s1
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| InChIKey |
WBLVXZIADXZEIW-DSITVLBTSA-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