C-met-IN-1 5mg

CAT: 0628-A12488-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A12488-5Size:5 mg

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CAS Number

2084836-84-8

Chemical Information

c-met-IN-1

CAS Number	2084836-84-8
PubChem CID	132819888
IUPAC Name	N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-1-(2-methoxyphenyl)imidazole-4-carboxamide
Molecular Formula	C35H37FN6O5
Molecular Weight	640.7
XLogP	4.9
Topological Polar Surface Area	103
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	12
Heavy Atom Count	47
Formal Charge	0
Complexity	977

SMILES

CN1CCN(CC1)CCCOC2=CC3=NC=CC(=C3C=C2OC)OC4=C(C=C(C=C4)NC(=O)C5=CN(C=N5)C6=CC=CC=C6OC)F

InChI

InChI=1S/C35H37FN6O5/c1-40-14-16-41(17-15-40)13-6-18-46-34-21-27-25(20-33(34)45-3)30(11-12-37-27)47-31-10-9-24(19-26(31)36)39-35(43)28-22-42(23-38-28)29-7-4-5-8-32(29)44-2/h4-5,7-12,19-23H,6,13-18H2,1-3H3,(H,39,43)

InChIKey

SJSWLZFLXRBNSJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2084836-84-8

CID: 132819888

Formula: C35H37FN6O5

MW: 640.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	640.7
XLogP3	4.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	12
Exact Mass	640.28094646
Monoisotopic Mass	640.28094646
Topological Polar Surface Area	103 Å²
Heavy Atom Count	47
Formal Charge	0
Complexity	977
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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C-met-IN-1 5mg

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