2-[[4-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]benzoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

Formula:C27H21N5O5 Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[[4-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]benzoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid is a drug-like molecule.

MolName	2-[[4-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]benzoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
MolecularFormula	C27H21N5O5
Smiles	OC(C(Cc1cnc[nH]1)NC(c(cc1)ccc1N(C1=O)C(c2ccccc2)=N/C1=C\c1ccco1)=O)=O
InChI	InChI=1S/C27H21N5O5/c33-25(31-23(27(35)36)13-19-15-28-16-29-19)18-8-10-20(11-9-18)32-24(17-5-2-1-3-6-17)30-22(26(32)34)14-21-7-4-12-37-21/h1-12,14-16,23H,13H2,(H,28,29)(H,31,33)(H,35,36)/t23-/m0/s1
InChIK	VBXDMHZQIWFGDS-QHCPKHFHSA-N
TotalMolweight	495.494
Molweight	495.494
MonoisotopicMass	495.15427
CLogP	1.7399
CLogS	-5.08
H Acceptors	10
H Donors	3
TotalSurfaceArea	372.36
Relative PSA	0.31639
PolarSurfaceArea	140.89
Druglikeness	-6.3208
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48649
Fragments	1
Non HAtoms	37
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	3
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	2
BasicNitrogens	2
AcidicOxygens	1
StereoCon	racemate

Click to Load Molecule:

1 - 2-[[4-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]benzoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid | 2 - 2-[[4-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]benzoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

Request More Details | 2-[[4-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]benzoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments