General Information of the Compound
| Compound ID |
CP0522615
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| Compound Name |
US9212165, 41
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| Structure |
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| Formula |
C20H19FN4O
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| Molecular Weight |
350.397
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| Canonical SMILES |
Fc1cccnc1C#C[C@]12CC[C@](C1)(CCC2)NC(=O)c1cnccn1
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| InChI |
InChI=1S/C20H19FN4O/c21-15-3-1-10-23-16(15)4-7-19-5-2-6-20(14-19,9-8-19)25-18(26)17-13-22-11-12-24-17/h1,3,10-13H,2,5-6,8-9,14H2,(H,25,26)/t19-,20+/m1/s1
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| InChIKey |
FFSMFNXRVOENEN-UXHICEINSA-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