enzastaurin

enzastaurin

CAS: 170364-57-5

Formula: C32H29N5O2

SMILES: CN1C=C(C2=CC=CC=C12)C1=C(C(=O)NC1=O)C1=CN(C2CCN(CC3=CC=CC=N3)CC2)C2=CC=CC=C12

IUPAC: 3-(1-methyl-1H-indol-3-yl)-4-(1-{1-[(pyridin-2-yl)methyl]piperidin-4-yl}-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione

InChI: InChI=1S/C32H29N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39)

Composition: C (74.54%), H (5.67%), N (13.58%), O (6.21%)

Molar Mass: 515.617

Atom Count: 68

Heavy Atom Count: 39

Properties

Properties

Common Names	enzastaurin
Aromatic Ring Count	5
Asymmetric Atom Count	0
Exact Mass	515.232125194
Formal Charge	0
FSP3	0.22
Hetero Ring Count	5
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	AXRCEOKUDYDWLF-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	151.61
Topological Polar Surface Area	72.16
Polarizability	60.27
Ring Count	7
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	CAS		UnitPrice
98%	<14 Days	170364-57-5		Quote Only