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NVP-CGM097 1mg

CAT: 0628-A16326-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0628-A16326-1Size:1 mg
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CAS Number
1313363-54-0

Chemical Information

Nvp-cgm097

See also: Cgm-097 (annotation moved to).

CAS Number1313363-54-0
PubChem CID53240420
IUPAC Name(1S)-1-(4-chlorophenyl)-6-methoxy-2-[4-[methyl-[[4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl]methyl]amino]phenyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one
Molecular FormulaC38H47ClN4O4
Molecular Weight659.3
XLogP6.5
Topological Polar Surface Area65.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count47
Formal Charge0
Complexity1040
SMILES
CC(C)OC1=C(C=C2CC(=O)N([C@H](C2=C1)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)N(C)CC5CCC(CC5)N6CCN(C(=O)C6)C)OC
InChI
InChI=1S/C38H47ClN4O4/c1-25(2)47-35-22-33-28(20-34(35)46-5)21-36(44)43(38(33)27-8-10-29(39)11-9-27)32-16-14-30(15-17-32)41(4)23-26-6-12-31(13-7-26)42-19-18-40(3)37(45)24-42/h8-11,14-17,20,22,25-26,31,38H,6-7,12-13,18-19,21,23-24H2,1-5H3/t26?,31?,38-/m0/s1
InChIKey
CLRSLRWKONPSRQ-CPOWQTMSSA-N
Chemical Structure
2D Structure
2D structure of Nvp-cgm097
CAS: 1313363-54-0
CID: 53240420
Formula: C38H47ClN4O4
MW: 659.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight659.3
XLogP36.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass658.3285837
Monoisotopic Mass658.3285837
Topological Polar Surface Area65.6 Ų
Heavy Atom Count47
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
B4677-5.1NVP-CGM097
462431NVP-CGM097 sulfate
HY-15954C(R) -NVP-CGM097
HY-15954A-01NVP-CGM097 (stereoisomer)

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