General Information of the Compound
| Compound ID |
CP0381858
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| Compound Name |
1,3-dimethyl-6-(4-(4-phenylpiperazin-1-ylsulfonyl)phenyl)-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione
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| Structure |
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| Formula |
C24H25N5O4S
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| Molecular Weight |
479.562
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| Canonical SMILES |
Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C24H25N5O4S/c1-26-21-16-20(25-22(21)23(30)27(2)24(26)31)17-8-10-19(11-9-17)34(32,33)29-14-12-28(13-15-29)18-6-4-3-5-7-18/h3-11,16,25H,12-15H2,1-2H3
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| InChIKey |
LXJNBJXQUBCSHG-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