General Information of the Compound
| Compound ID |
CP0712321
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| Compound Name |
SID22411020
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| Structure |
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| Formula |
C23H21Cl3N4O3S
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| Molecular Weight |
539.872
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| Canonical SMILES |
O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(N2CCCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1
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| InChI |
InChI=1S/C23H21Cl3N4O3S/c24-17-9-7-15(13-19(17)26)27-23(31)28-16-8-10-21(30-11-3-4-12-30)22(14-16)34(32,33)29-20-6-2-1-5-18(20)25/h1-2,5-10,13-14,29H,3-4,11-12H2,(H2,27,28,31)
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| InChIKey |
OSXJCADMMVVQIF-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: PT06172, Mothers against decapentaplegic homolog 3