General Information of the Compound
| Compound ID |
CP0129193
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| Compound Name |
US9233968, 14
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| Structure |
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| Formula |
C21H14ClFN6O
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| Molecular Weight |
420.835
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| Canonical SMILES |
Nc1ccc(cc1)C#Cc1ccc2nc(NC(=O)Nc3ccc(F)c(Cl)c3)cn2n1
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| InChI |
InChI=1S/C21H14ClFN6O/c22-17-11-16(7-9-18(17)23)25-21(30)27-19-12-29-20(26-19)10-8-15(28-29)6-3-13-1-4-14(24)5-2-13/h1-2,4-5,7-12H,24H2,(H2,25,27,30)
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| InChIKey |
RSPKPWWYNCEHBZ-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