General Information of the Compound
| Compound ID |
CP0539885
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| Compound Name |
US9315498, 47
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| Structure |
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| Formula |
C20H18N2O2
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| Molecular Weight |
318.376
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| Canonical SMILES |
O=C1O[C@H]2CCCC[C@H]2N1c1ccc(cn1)C#Cc1ccccc1
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| InChI |
InChI=1S/C20H18N2O2/c23-20-22(17-8-4-5-9-18(17)24-20)19-13-12-16(14-21-19)11-10-15-6-2-1-3-7-15/h1-3,6-7,12-14,17-18H,4-5,8-9H2/t17-,18+/m1/s1
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| InChIKey |
ZDJHIQALUMHKKD-MSOLQXFVSA-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