CD molecules

Associated targets:  KLRC1

Cas#: 1228763-95-8       

Cas#: 2216764-29-1(DMSO)       

Formula:  C₁₆H₂₃ClN₅O₇P        Molecular Weight: 463.81

SMILES: C1CCC(C1)NC2=C3C=NN(C3=NC(=N2)Cl)C4C(C(C(O4)COCP(=O)(O)O)O)O

Cas#: 1802226-78-3(Water)       

Formula:  C₁₈H₂₃N₅O₉P₂        Molecular Weight: 515.35

SMILES: C1=CC=C(C=C1)CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)COP(=O)(CP(=O)(O)O)O)O)O

Cas#: 2216764-29-1        Compound CID:  135348940

Formula:  C₁₆H₂₃ClN₅O₇P        Molecular Weight: 463.81

IUPAC Name: [(2R,3S,4R,5R)-5-[6-chloro-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid

SMILES: C1CCC(C1)NC2=C3C=NN(C3=NC(=N2)Cl)C4C(C(C(O4)COCP(=O)(O)O)O)O

InChIKey: IVHVIBKVJIZKOC-RTWAVKEYSA-N

InChI: InChI=1S/C16H23ClN5O7P/c17-16-20-13(19-8-3-1-2-4-8)9-5-18-22(14(9)21-16)15-12(24)11(23)10(29-15)6-28-7-30(25,26)27/h5,8,10-12,15,23-24H,1-4,6-7H2,(H,19,20,21)(H2,25,26,27)/t10-,11-,12-,15-/m1/s1

Cas#: 1802226-78-3        Compound CID:  122207761

Formula:  C₁₈H₂₃N₅O₉P₂        Molecular Weight: 515.35

IUPAC Name: [[(2R,3S,4R,5R)-5-[6-(benzylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid

SMILES: C1=CC=C(C=C1)CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)COP(=O)(CP(=O)(O)O)O)O)O

InChIKey: DMBYYIJBPDWQFF-SCFUHWHPSA-N

InChI: InChI=1S/C18H23N5O9P2/c24-14-12(7-31-34(29,30)10-33(26,27)28)32-18(15(14)25)23-9-22-13-16(20-8-21-17(13)23)19-6-11-4-2-1-3-5-11/h1-5,8-9,12,14-15,18,24-25H,6-7,10H2,(H,29,30)(H,19,20,21)(H2,26,27,28)/t12-,14-,15-,18-/m1/s1