General Information of the Compound
| Compound ID |
CP0799820
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| Compound Name |
SID24816334
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| Structure |
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| Formula |
C21H25ClFN3O2S
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| Molecular Weight |
437.968
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| Canonical SMILES |
CN(C)CCCN(C(=O)CCOc1ccccc1)c1nc2c(F)cccc2s1.Cl
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| InChI |
InChI=1S/C21H24FN3O2S.ClH/c1-24(2)13-7-14-25(19(26)12-15-27-16-8-4-3-5-9-16)21-23-20-17(22)10-6-11-18(20)28-21;/h3-6,8-11H,7,12-15H2,1-2H3;1H
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| InChIKey |
LLHCOJLLLPZLGG-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8