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CP-10

CAT: 0013-GTR19204387-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204387-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CP-10
CAS Number
2366268-80-4
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Smiles
O=C1C=2C=CC=C (NCCOCCN3N=NC (=C3) CN4CCN (C5=CN=C (C=C5) NC=6N=CC7=C (N6) N (C (=O) C (C (=O) C) =C7C) C8CCCC8) CC4) C2C (=O) N1C9C (=O) NC (=O) CC9
Molecular Formula
C44H49N13O7
Molecular Weight
871.94
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-((2-(2-(4-((4-(6-((6-acetyl-8-cyclopentyl-5-methyl-7-oxo-7H,8H-pyrido(2,3-d)pyrimidin-2-yl)amino)pyridin-3-yl)piperazin-1-yl)methyl)-1H-1,2,3-triazol-1-yl)ethoxy)ethyl)amino)-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number2366268-80-4
PubChem CID138911323
IUPAC Name4-[2-[2-[4-[[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]methyl]triazol-1-yl]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular FormulaC44H49N13O7
Molecular Weight871.9
XLogP1.8
Topological Polar Surface Area230
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count16
Rotatable Bond Count15
Heavy Atom Count64
Formal Charge0
Complexity1810
SMILES
CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCN(CC4)CC5=CN(N=N5)CCOCCNC6=CC=CC7=C6C(=O)N(C7=O)C8CCC(=O)NC8=O)C9CCCC9)C(=O)C
InChI
InChI=1S/C44H49N13O7/c1-26-32-23-47-44(50-39(32)56(29-6-3-4-7-29)42(62)37(26)27(2)58)48-35-12-10-30(22-46-35)54-17-15-53(16-18-54)24-28-25-55(52-51-28)19-21-64-20-14-45-33-9-5-8-31-38(33)43(63)57(41(31)61)34-11-13-36(59)49-40(34)60/h5,8-10,12,22-23,25,29,34,45H,3-4,6-7,11,13-21,24H2,1-2H3,(H,49,59,60)(H,46,47,48,50)
InChIKey
PACRWHUPEPCFHX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-((2-(2-(4-((4-(6-((6-acetyl-8-cyclopentyl-5-methyl-7-oxo-7H,8H-pyrido(2,3-d)pyrimidin-2-yl)amino)pyridin-3-yl)piperazin-1-yl)methyl)-1H-1,2,3-triazol-1-yl)ethoxy)ethyl)amino)-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione
CAS: 2366268-80-4
CID: 138911323
Formula: C44H49N13O7
MW: 871.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight871.9
XLogP31.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count16
Rotatable Bond Count15
Exact Mass871.38779095
Monoisotopic Mass871.38779095
Topological Polar Surface Area230 Ų
Heavy Atom Count64
Formal Charge0
Complexity1810
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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