General Information of the Compound
| Compound ID |
CP0522618
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| Compound Name |
US9212171, 35
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| Structure |
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| Formula |
C22H22N2O
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| Molecular Weight |
330.431
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| Canonical SMILES |
CN1[C@H]2CCCC[C@H]2[C@H](C1=O)c1ccc(cn1)C#Cc1ccccc1
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| InChI |
InChI=1S/C22H22N2O/c1-24-20-10-6-5-9-18(20)21(22(24)25)19-14-13-17(15-23-19)12-11-16-7-3-2-4-8-16/h2-4,7-8,13-15,18,20-21H,5-6,9-10H2,1H3/t18-,20+,21+/m1/s1
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| InChIKey |
OFHHFXKOVBOQJU-GIVPXCGWSA-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