General Information of the Compound
| Compound ID |
CP0834870
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| Compound Name |
SID87336821
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| Formula |
C21H20Cl2N4O3
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| Molecular Weight |
447.322
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| Canonical SMILES |
CCOC(=O)C1=C(NC(=O)Nc2ccc(Cl)c(Cl)c2)Nc2ccccc2N=C1CC
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| InChI |
InChI=1S/C21H20Cl2N4O3/c1-3-15-18(20(28)30-4-2)19(26-17-8-6-5-7-16(17)25-15)27-21(29)24-12-9-10-13(22)14(23)11-12/h5-11,26H,3-4H2,1-2H3,(H2,24,27,29)
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| InChIKey |
JSHVGDAOCSIQFB-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