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GDC-6036-NH

CAT: 0127-BUP21382-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP21382-01Size:1 mg
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CAS Number
2417918-80-8
Purity
=98%
Smiles
C[C@H]1CNCCN1c1nc(OC[C@@H]2CCCN2C)nc2c(F)c(c(Cl)cc12)-c1nc(N)cc(C)c1C(F)(F)F

Chemical Information

Gdc-6036-NH
CAS Number2417918-80-8
PubChem CID146624902
IUPAC Name6-[6-chloro-8-fluoro-4-[(2S)-2-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine
Molecular FormulaC26H30ClF4N7O
Molecular Weight568.0
XLogP4.9
Topological Polar Surface Area92.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Heavy Atom Count39
Formal Charge0
Complexity830
SMILES
C[C@H]1CNCCN1C2=NC(=NC3=C(C(=C(C=C32)Cl)C4=C(C(=CC(=N4)N)C)C(F)(F)F)F)OC[C@@H]5CCCN5C
InChI
InChI=1S/C26H30ClF4N7O/c1-13-9-18(32)34-23(20(13)26(29,30)31)19-17(27)10-16-22(21(19)28)35-25(39-12-15-5-4-7-37(15)3)36-24(16)38-8-6-33-11-14(38)2/h9-10,14-15,33H,4-8,11-12H2,1-3H3,(H2,32,34)/t14-,15-/m0/s1
InChIKey
XPOSONRWHCKUDU-GJZGRUSLSA-N
Chemical Structure
2D Structure
2D structure of Gdc-6036-NH
CAS: 2417918-80-8
CID: 146624902
Formula: C26H30ClF4N7O
MW: 568.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight568.0
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Exact Mass567.2136489
Monoisotopic Mass567.2136489
Topological Polar Surface Area92.4 Ų
Heavy Atom Count39
Formal Charge0
Complexity830
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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