General Information of the Compound
| Compound ID |
CP0427749
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| Compound Name |
2-(2-(3,4-dichlorobenzylamino)-6-(4-methoxyphenyl)-7-oxopteridin-8(7H)-yl)ethylsulfamic acid
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| Structure |
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| Formula |
C23H22Cl2N6O4S
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| Molecular Weight |
549.44
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| Canonical SMILES |
COc1ccc(cc1)-c1nc2cnc(NCc3ccc(Cl)c(Cl)c3)nc2n(CCNS(C)(=O)=O)c1=O
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| InChI |
InChI=1S/C23H22Cl2N6O4S/c1-35-16-6-4-15(5-7-16)20-22(32)31(10-9-28-36(2,33)34)21-19(29-20)13-27-23(30-21)26-12-14-3-8-17(24)18(25)11-14/h3-8,11,13,28H,9-10,12H2,1-2H3,(H,26,27,30)
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| InChIKey |
JSOGDVANKKEGRE-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