General Information of the Compound
| Compound ID |
CP0475243
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| Compound Name |
US9212165, 80
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| Structure |
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| Formula |
C23H24N4O
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| Molecular Weight |
372.472
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| Canonical SMILES |
Cc1ccc(cn1)C#CC12CC3CC(CC(C3)(C1)NC(=O)c1cnccn1)C2
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| InChI |
InChI=1S/C23H24N4O/c1-16-2-3-17(13-26-16)4-5-22-9-18-8-19(10-22)12-23(11-18,15-22)27-21(28)20-14-24-6-7-25-20/h2-3,6-7,13-14,18-19H,8-12,15H2,1H3,(H,27,28)
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| InChIKey |
QXYBUVLJWXHUMM-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