General Information of the Compound
Compound ID |
CP0493280
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Compound Name |
US9212171, 33
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Structure |
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Formula |
C20H19N3O
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Molecular Weight |
317.392
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Canonical SMILES |
CN1[C@H]2CCC[C@H]2[C@@H](C1=O)c1ncc(cn1)C#Cc1ccccc1
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InChI |
InChI=1S/C20H19N3O/c1-23-17-9-5-8-16(17)18(20(23)24)19-21-12-15(13-22-19)11-10-14-6-3-2-4-7-14/h2-4,6-7,12-13,16-18H,5,8-9H2,1H3/t16-,17+,18-/m1/s1
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InChIKey |
ZESDXTPTWICCGI-FGTMMUONSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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