General Information of the Compound
| Compound ID |
CP0719003
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| Compound Name |
(R)-3-(4-((3-Hydroxypiperidin-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 |
C23H21N5O
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| Molecular Weight |
383.455
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| Canonical SMILES |
N#Cc1cc2c(cn1)[nH]c1ncc(-c3ccc(CN4CCC[C@@H](O)C4)cc3)cc12
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| InChI |
InChI=1S/C23H21N5O/c24-10-18-9-20-21-8-17(11-26-23(21)27-22(20)12-25-18)16-5-3-15(4-6-16)13-28-7-1-2-19(29)14-28/h3-6,8-9,11-12,19,29H,1-2,7,13-14H2,(H,26,27)/t19-/m1/s1
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| InChIKey |
IXIKZBWGIPPSBJ-LJQANCHMSA-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