General Information of the Compound
| Compound ID |
CP0187571
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| Compound Name |
US9233968, 24
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| Structure |
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| Formula |
C21H12ClFN4O
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| Molecular Weight |
390.805
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| Canonical SMILES |
Fc1ccc(cc1Cl)C(=O)Nc1cccc(c1)C#Cc1ccc2nccn2n1
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| InChI |
InChI=1S/C21H12ClFN4O/c22-18-13-15(5-8-19(18)23)21(28)25-17-3-1-2-14(12-17)4-6-16-7-9-20-24-10-11-27(20)26-16/h1-3,5,7-13H,(H,25,28)
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| InChIKey |
YUYBOQAVKLQEDF-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