General Information of the Compound
| Compound ID |
CP0098354
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| Compound Name |
US9233968, 3
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| Structure |
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| Formula |
C22H17N5O
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| Molecular Weight |
367.412
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| Canonical SMILES |
Cc1cccc(NC(=O)Nc2ccc(cc2)C#Cc2ccc3nccn3n2)c1
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| InChI |
InChI=1S/C22H17N5O/c1-16-3-2-4-20(15-16)25-22(28)24-18-8-5-17(6-9-18)7-10-19-11-12-21-23-13-14-27(21)26-19/h2-6,8-9,11-15H,1H3,(H2,24,25,28)
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| InChIKey |
RUTCUMBDVHNVLK-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