General Information of the Compound
| Compound ID |
CP0477223
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| Compound Name |
US9212165, 37
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| Structure |
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| Formula |
C22H23N3O
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| Molecular Weight |
345.446
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| Canonical SMILES |
Cc1cccc(n1)C#C[C@]12CC[C@](C1)(CCC2)NC(=O)c1ccccn1
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| InChI |
InChI=1S/C22H23N3O/c1-17-6-4-7-18(24-17)9-12-21-10-5-11-22(16-21,14-13-21)25-20(26)19-8-2-3-15-23-19/h2-4,6-8,15H,5,10-11,13-14,16H2,1H3,(H,25,26)/t21-,22+/m1/s1
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| InChIKey |
DEXYLUUYCMWEGD-YADHBBJMSA-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