General Information of the Compound
| Compound ID |
CP0402508
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| Compound Name |
US9212171, 15
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| Structure |
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| Formula |
C20H21N3O
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| Molecular Weight |
319.408
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| Canonical SMILES |
CN1C(=O)C(CCC1(C)C)c1ncc(cn1)C#Cc1ccccc1
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| InChI |
InChI=1S/C20H21N3O/c1-20(2)12-11-17(19(24)23(20)3)18-21-13-16(14-22-18)10-9-15-7-5-4-6-8-15/h4-8,13-14,17H,11-12H2,1-3H3
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| InChIKey |
QMCKUCRUSDEOOY-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