General Information of the Compound
| Compound ID |
CP0493297
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| Compound Name |
US9212165, 62
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| Structure |
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| Formula |
C22H21FN4O
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| Molecular Weight |
376.435
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| Canonical SMILES |
Fc1cncc(c1)C(=O)NC12CC3CC(C1)CC(C3)(C2)C#Cc1cnccn1
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| InChI |
InChI=1S/C22H21FN4O/c23-18-6-17(11-25-12-18)20(28)27-22-9-15-5-16(10-22)8-21(7-15,14-22)2-1-19-13-24-3-4-26-19/h3-4,6,11-13,15-16H,5,7-10,14H2,(H,27,28)
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| InChIKey |
NAPPIKLIVCBXGG-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