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USP7-797

CAT: 0127-BUP20272-06Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP20272-06Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2413944-70-2
Synonyms
USP7797 , USP7-IN-7 , USP 7-797
Purity
=95%
Smiles
O=C1C=2C(C(=O)N1C3C(=O)NC(=O)CC3)=CC=C(C2)N4CC(C4)N5CCN(CC5)C6=CC=C(C(N[C@H]7CC[C@H](N(C)C8=CC(Cl)=C(C#N)C=C8)CC7)=O)C=C6

Chemical Information

Usp7-IN-7
CAS Number2413944-70-2
PubChem CID146445055
IUPAC Name3-[[7-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
Molecular FormulaC27H28ClN3O3S
Molecular Weight510.0
XLogP3.9
Topological Polar Surface Area99.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity834
SMILES
CC1=CC(=CC(=C1C[C@@H]2CNCCO2)C3=C4C(=NC=C3)C=C(S4)CN5C(=O)C6C(C5=O)C6(C)C)Cl
InChI
InChI=1S/C27H28ClN3O3S/c1-14-8-15(28)9-20(19(14)10-16-12-29-6-7-34-16)18-4-5-30-21-11-17(35-24(18)21)13-31-25(32)22-23(26(31)33)27(22,2)3/h4-5,8-9,11,16,22-23,29H,6-7,10,12-13H2,1-3H3/t16-,22?,23?/m1/s1
InChIKey
DUAGQCVAGBJSHT-ZUTUBDCJSA-N
Chemical Structure
2D Structure
2D structure of Usp7-IN-7
CAS: 2413944-70-2
CID: 146445055
Formula: C27H28ClN3O3S
MW: 510.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight510.0
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass509.1539906
Monoisotopic Mass509.1539906
Topological Polar Surface Area99.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity834
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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