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Syk-IN-1

CAT: 0607-BA9027-5.1Size: 1 mL (10 mM in DMSO)Dry Ice: NoHazardous: No
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CAT#:0607-BA9027-5.1Size:1 mL (10 mM in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1491150-77-6
Form
A solid
Molecular Formula
C18H22N8O
Molecular Weight
366.42
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Syk-IN-1
CAS Number1491150-77-6
PubChem CID72202597
IUPAC Name3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(1H-indol-7-ylamino)-1,2,4-triazine-6-carboxamide
Molecular FormulaC18H22N8O
Molecular Weight366.4
XLogP1.7
Topological Polar Surface Area148
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity520
SMILES
C1CC[C@H]([C@H](C1)N)NC2=NC(=C(N=N2)C(=O)N)NC3=CC=CC4=C3NC=C4
InChI
InChI=1S/C18H22N8O/c19-11-5-1-2-6-12(11)23-18-24-17(15(16(20)27)25-26-18)22-13-7-3-4-10-8-9-21-14(10)13/h3-4,7-9,11-12,21H,1-2,5-6,19H2,(H2,20,27)(H2,22,23,24,26)/t11-,12+/m0/s1
InChIKey
FPQNRXITKTZFMF-NWDGAFQWSA-N
Chemical Structure
2D Structure
2D structure of Syk-IN-1
CAS: 1491150-77-6
CID: 72202597
Formula: C18H22N8O
MW: 366.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.4
XLogP31.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass366.19165736
Monoisotopic Mass366.19165736
Topological Polar Surface Area148 Ų
Heavy Atom Count27
Formal Charge0
Complexity520
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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