General Information of the Compound
| Compound ID |
CP0561589
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| Compound Name |
US9351973, 26
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| Structure |
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| Formula |
C12H8ClN5O
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| Molecular Weight |
273.683
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| Canonical SMILES |
Clc1cncc(c1)-c1nn2CCC(=O)Nc2c1C#N
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| InChI |
InChI=1S/C12H8ClN5O/c13-8-3-7(5-15-6-8)11-9(4-14)12-16-10(19)1-2-18(12)17-11/h3,5-6H,1-2H2,(H,16,19)
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| InChIKey |
OHNNVMOHWNKRII-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