4-[[(E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-2-cyanoprop-2-enoyl]amino]benzoic acid

Formula:C28H18N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[(E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-2-cyanoprop-2-enoyl]amino]benzoic acid is a drug-like molecule.

MolName	4-[[(E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-2-cyanoprop-2-enoyl]amino]benzoic acid
MolecularFormula	C28H18N4O4
Smiles	N#C/C(/C(Nc(cc1)ccc1C(O)=O)=O)=C\c1cn(-c2ccccc2)nc1-c1cc(cccc2)c2o1
InChI	InChI=1S/C28H18N4O4/c29-16-20(27(33)30-22-12-10-18(11-13-22)28(34)35)14-21-17-32(23-7-2-1-3-8-23)31-26(21)25-15-19-6-4-5-9-24(19)36-25/h1-15,17H,(H,30,33)(H,34,35)
InChIK	RFAUICWKUWQRAS-UHFFFAOYSA-N
TotalMolweight	474.475
Molweight	474.475
MonoisotopicMass	474.132806
CLogP	3.935
CLogS	-6.147
H Acceptors	8
H Donors	2
TotalSurfaceArea	364.52
Relative PSA	0.26377
PolarSurfaceArea	121.15
Druglikeness	0.33028
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.47222
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	1
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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