General Information of the Compound
| Compound ID |
CP0404591
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| Compound Name |
2-((S)-3-Hydroxy-piperidin-1-yl)-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C13H14N4O
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| Molecular Weight |
242.282
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| Canonical SMILES |
O[C@H]1CCCN(C1)c1[nH]c2cccnc2c1C#N
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| InChI |
InChI=1S/C13H14N4O/c14-7-10-12-11(4-1-5-15-12)16-13(10)17-6-2-3-9(18)8-17/h1,4-5,9,16,18H,2-3,6,8H2/t9-/m0/s1
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| InChIKey |
CVUKCWHDPHFTBD-VIFPVBQESA-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