General Information of the Compound
| Compound ID |
CP0564068
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| Compound Name |
US9315498, 102
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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]2CCC[C@@H]2CN1c1ccc(cn1)C#Cc1ccccc1
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| InChI |
InChI=1S/C20H18N2O2/c23-20-22(14-17-7-4-8-18(17)24-20)19-12-11-16(13-21-19)10-9-15-5-2-1-3-6-15/h1-3,5-6,11-13,17-18H,4,7-8,14H2/t17-,18+/m1/s1
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| InChIKey |
SATNCABEKXHUKZ-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