General Information of the Compound
| Compound ID |
CP0575596
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| Compound Name |
US9212171, 20
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| Structure |
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| Formula |
C21H22N2O
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| Molecular Weight |
318.42
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| Canonical SMILES |
CN1C(=O)C(C)(CC1(C)C)c1ccc(cn1)C#Cc1ccccc1
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| InChI |
InChI=1S/C21H22N2O/c1-20(2)15-21(3,19(24)23(20)4)18-13-12-17(14-22-18)11-10-16-8-6-5-7-9-16/h5-9,12-14H,15H2,1-4H3
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| InChIKey |
IJOUWDDLQVRLMZ-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