3-[[1-(carboxymethyl)tetrazol-5-yl]sulfanylmethyl]-7-[[2-[[2-(4-formylpiperazin-1-yl)-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Formula:C32H30N12O10S2 Mutagenic:none Tumorigenic:none Reproductive Effective:low 3-[[1-(carboxymethyl)tetrazol-5-yl]sulfanylmethyl]-7-[[2-[[2-(4-formylpiperazin-1-yl)-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is not a drug-like molecule.

MolName	3-[[1-(carboxymethyl)tetrazol-5-yl]sulfanylmethyl]-7-[[2-[[2-(4-formylpiperazin-1-yl)-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MolecularFormula	C32H30N12O10S2
Smiles	OC(Cn1nnnc1SCC(CSC1C2NC(C(c(cc3)ccc3O)NC(C3=CNc(nc(N(CC4)CCN4C=O)nc4)c4C3=O)=O)=O)=C(C(O)=O)N1C2=O)=O
InChI	InChI=1S/C32H30N12O10S2/c45-14-41-5-7-42(8-6-41)31-34-9-18-24(49)19(10-33-25(18)37-31)26(50)35-21(15-1-3-17(46)4-2-15)27(51)36-22-28(52)44-23(30(53)54)16(12-55-29(22)44)13-56-32-38-39-40-43(32)11-20(47)48/h1-4,9-10,14,21-22,29,46H,5-8,11-13H2,(H,35,50)(H,
InChIK	GSWSZNOBAWTSID-UHFFFAOYSA-N
TotalMolweight	806.796
Molweight	806.796
MonoisotopicMass	806.164928
CLogP	-2.6244
CLogS	-3.565
H Acceptors	22
H Donors	6
TotalSurfaceArea	548.58
Relative PSA	0.49639
PolarSurfaceArea	345.97
Druglikeness	8.6006
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.51786
Fragments	1
Non HAtoms	56
NonCHAtoms	24
Electronegative Atoms	24
StereoCenters	3
Rotatable Bond	12
Rings Closures	7
Small Rings	7
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	15
Symmetricatoms	4
Amides	4
Aromatic Nitrogens	6
AcidicOxygens	2
StereoCon	unknown chirality

Click to Load Molecule:

1 - 3-[[1-(carboxymethyl)tetrazol-5-yl]sulfanylmethyl]-7-[[2-[[2-(4-formylpiperazin-1-yl)-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | 2 - 3-[[1-(carboxymethyl)tetrazol-5-yl]sulfanylmethyl]-7-[[2-[[2-(4-formylpiperazin-1-yl)-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Request More Details | 3-[[1-(carboxymethyl)tetrazol-5-yl]sulfanylmethyl]-7-[[2-[[2-(4-formylpiperazin-1-yl)-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments