General Information of the Compound
| Compound ID |
CP0414266
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| Compound Name |
US9212165, 58
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| Synonyms |
Bicarboxylic and tricarboxylic ethynyl derivative 3
PMID28067079-Compound-26
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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 |
Cc1cncc(n1)C(=O)NC12CC3CC(C1)CC(C3)(C2)C#Cc1cccnc1
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| InChI |
InChI=1S/C23H24N4O/c1-16-12-25-14-20(26-16)21(28)27-23-10-18-7-19(11-23)9-22(8-18,15-23)5-4-17-3-2-6-24-13-17/h2-3,6,12-14,18-19H,7-11,15H2,1H3,(H,27,28)
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| InChIKey |
LHOOHRUEDKJGBG-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
Clinical Information about the Compound