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Chemistry

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Also known as:
Molecular Formula
C19H14F2N6O
Molecular Weight
380.4  g/mol
InChI Key
IUEWAGVJRJORLA-HZPDHXFCSA-N

Talazoparib
1 2D Structure

Talazoparib

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(11S,12R)-7-fluoro-11-(4-fluorophenyl)-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1(13),5,7,9-tetraen-4-one
2.1.2 InChI
InChI=1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,25H,1H3,(H,26,28)/t15-,16-/m1/s1
2.1.3 InChI Key
IUEWAGVJRJORLA-HZPDHXFCSA-N
2.1.4 Canonical SMILES
CN1C(=NC=N1)C2C(N=C3C=C(C=C4C3=C2NNC4=O)F)C5=CC=C(C=C5)F
2.1.5 Isomeric SMILES
CN1C(=NC=N1)[C@@H]2[C@H](N=C3C=C(C=C4C3=C2NNC4=O)F)C5=CC=C(C=C5)F
2.2 Create Date
2010-03-15
3 Chemical and Physical Properties
Molecular Weight 380.4 g/mol
Molecular Formula C19H14F2N6O
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass380.11971542 g/mol
Monoisotopic Mass380.11971542 g/mol
Topological Polar Surface Area84.2 A^2
Heavy Atom Count28
Formal Charge0
Complexity826
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

API Reference Price

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06-Jul-2021
06-Jul-2021
KGS
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