APG-115 1mg

CAT: 0628-A12575-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0628-A12575-1Size:1 mg

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CAS Number

1818393-16-6

Chemical Information

Alrizomadlin

Alrizomadlin is a novel MDM2 inhibitor that blocks the interaction of MDM2 and p53. It is being investigated in cancers.

CAS Number	1818393-16-6
PubChem CID	91972012
Molecular Formula	C34H38Cl2FN3O4
Molecular Weight	642.6
XLogP	3.6
Topological Polar Surface Area	98.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	44
Formal Charge	0
Complexity	1160

SMILES

CCN1[C@H]([C@@H]([C@]2(C13CCCCC3)C4=C(C=C(C=C4)Cl)NC2=O)C5=C(C(=CC=C5)Cl)F)C(=O)NC67CCC(CC6)(CC7)C(=O)O

InChI

InChI=1S/C34H38Cl2FN3O4/c1-2-40-27(28(41)39-32-16-13-31(14-17-32,15-18-32)30(43)44)25(21-7-6-8-23(36)26(21)37)34(33(40)11-4-3-5-12-33)22-10-9-20(35)19-24(22)38-29(34)42/h6-10,19,25,27H,2-5,11-18H2,1H3,(H,38,42)(H,39,41)(H,43,44)/t25-,27+,31?,32?,34+/m0/s1

InChIKey

YJCZPJQGFSSFOL-MNZPCBJKSA-N

Chemical Structure

2D Structure

CAS: 1818393-16-6

CID: 91972012

Formula: C34H38Cl2FN3O4

MW: 642.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	642.6
XLogP3	3.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	641.2223403
Monoisotopic Mass	641.2223403
Topological Polar Surface Area	98.7 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	1160
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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