General Information of the Compound
| Compound ID |
CP0564956
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| Compound Name |
5-[(3R)-3-[6-(cyclopropylmethoxy)pyridin-3-yl]oxy-2-oxopyrrolidin-1-yl]-2-(3-hydroxyazetidin-1-yl)pyridine-3-carbonitrile
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| Structure |
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| Formula |
C22H23N5O4
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| Molecular Weight |
421.457
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| Canonical SMILES |
OC1CN(C1)c1ncc(cc1C#N)N1CC[C@@H](Oc2ccc(OCC3CC3)nc2)C1=O
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| InChI |
InChI=1S/C22H23N5O4/c23-8-15-7-16(9-25-21(15)26-11-17(28)12-26)27-6-5-19(22(27)29)31-18-3-4-20(24-10-18)30-13-14-1-2-14/h3-4,7,9-10,14,17,19,28H,1-2,5-6,11-13H2/t19-/m1/s1
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| InChIKey |
OTBCPISSYHSVIX-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