General Information of the Compound
| Compound ID |
CP0366311
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| Compound Name |
2-(3,4-Dichloro-phenylamino)-1,9-dihydro-purin-6-one
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| Structure |
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| Formula |
C11H7Cl2N5O
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| Molecular Weight |
296.117
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| Canonical SMILES |
Clc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1Cl
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| InChI |
InChI=1S/C11H7Cl2N5O/c12-6-2-1-5(3-7(6)13)16-11-17-9-8(10(19)18-11)14-4-15-9/h1-4H,(H3,14,15,16,17,18,19)
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| InChIKey |
RZBANNTZMKJFNR-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: PT04984, DNA primase
Protein ID: PT00054, Thymidine kinase
Protein ID: PT01530, Thymidine kinase