General Information of the Compound
| Compound ID |
CP0762094
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| Compound Name |
3-(4-(((2R,6S)-2,6-Dimethylpiperidin-1-yl)methyl)phenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
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| Structure |
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| Formula |
C25H25N5
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| Molecular Weight |
395.51
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| Canonical SMILES |
C[C@@H]1CCC[C@H](C)N1Cc1ccc(-c2cnc3[nH]c4cnc(C#N)cc4c3c2)cc1
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| InChI |
InChI=1S/C25H25N5/c1-16-4-3-5-17(2)30(16)15-18-6-8-19(9-7-18)20-10-23-22-11-21(12-26)27-14-24(22)29-25(23)28-13-20/h6-11,13-14,16-17H,3-5,15H2,1-2H3,(H,28,29)/t16-,17+
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| InChIKey |
JUFWFSABMFTGBO-CALCHBBNSA-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