Compound ID	CP0072678
Compound Name	5-(1,3-benzodioxol-5-yl)-7-[[(2R)-1-ethenylsulfonylpyrrolidin-2-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-amine     Show/Hide
Structure
Formula	C20H21N5O4S
Molecular Weight	427.486
Canonical SMILES	Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12     Show/Hide
InChI	InChI=1S/C20H21N5O4S/c1-2-30(26,27)25-7-3-4-14(25)9-24-10-15(18-19(21)22-11-23-20(18)24)13-5-6-16-17(8-13)29-12-28-16/h2,5-6,8,10-11,14H,1,3-4,7,9,12H2,(H2,21,22,23)/t14-/m1/s1     Show/Hide
InChIKey	OSAWFUCUZJNEID-CQSZACIVSA-N
Physicochemical Property	logP 2.3469 Rotatable Bonds 5 Heavy Atom Count 30 Polar Areas 112.57 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 8 Complexity 30 "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
Click to Show/Hide the External Link(s) of This Compound
PubChem ID	CID: 137652864
ChEMBL ID	CHEMBL4095253

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