General Information of the Compound
| Compound ID |
CP0486603
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| Compound Name |
1-[(4-cyanophenyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]pyrrolo[3,2-b]pyridine-3-carboxamide
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| Structure |
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| Formula |
C22H22N4O2
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| Molecular Weight |
374.444
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| Canonical SMILES |
O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc(cc2)C#N)c2cccnc12
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| InChI |
InChI=1S/C22H22N4O2/c23-12-15-7-9-16(10-8-15)13-26-14-17(21-19(26)5-3-11-24-21)22(28)25-18-4-1-2-6-20(18)27/h3,5,7-11,14,18,20,27H,1-2,4,6,13H2,(H,25,28)/t18-,20-/m0/s1
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| InChIKey |
WJPWIRPWKGFXST-ICSRJNTNSA-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