General Information of the Compound
| Compound ID |
CP0499896
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| Compound Name |
US9212171, 28
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| Structure |
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| Formula |
C21H20N2O
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| Molecular Weight |
316.404
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| Canonical SMILES |
CN1[C@@H]2CCC[C@@H]2[C@H](C1=O)c1ccc(cn1)C#Cc1ccccc1
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| InChI |
InChI=1S/C21H20N2O/c1-23-19-9-5-8-17(19)20(21(23)24)18-13-12-16(14-22-18)11-10-15-6-3-2-4-7-15/h2-4,6-7,12-14,17,19-20H,5,8-9H2,1H3/t17-,19+,20-/m0/s1
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| InChIKey |
ITPSSPROTKPTLZ-SXLOBPIMSA-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