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PROTO-1

CAT: 0931-T16668-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T16668-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
312951-85-2
Target
Others
Related Pathways
Others
Bioactivity
PROTO-1 displays obviously protection of hair cells, with HC50 (concentration that would produce 50% hair cell survival) of 1 μM-10 μM (1 μM≤HC50≤10 μM) .
Smiles
CCN1CCc2c(C1)sc(NC(=O)Nc1ccc(Cl)cc1)c2C(N)=O
Molecular Formula
C17H19ClN4O2S
Molecular Weight
378.88
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Proto-1
CAS Number312951-85-2
PubChem CID1069493
IUPAC Name2-[(4-chlorophenyl)carbamoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
Molecular FormulaC17H19ClN4O2S
Molecular Weight378.9
XLogP2.8
Topological Polar Surface Area116
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity501
SMILES
CCN1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H19ClN4O2S/c1-2-22-8-7-12-13(9-22)25-16(14(12)15(19)23)21-17(24)20-11-5-3-10(18)4-6-11/h3-6H,2,7-9H2,1H3,(H2,19,23)(H2,20,21,24)
InChIKey
QBLKUVUKIZEWAL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Proto-1
CAS: 312951-85-2
CID: 1069493
Formula: C17H19ClN4O2S
MW: 378.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.9
XLogP32.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass378.0917247
Monoisotopic Mass378.0917247
Topological Polar Surface Area116 Ų
Heavy Atom Count25
Formal Charge0
Complexity501
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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