(2S)-2-[5-(4-chlorophenyl)-9-[5-(1,1-dideuterioethoxy)pyrimidin-2-yl]-2,7-dimethyl-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(1S)-1-[5-(4-chlorophenyl)-2,7-dimethyl-9-(6-methylpyridazin-3-yl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(2S)-2-[9-[5-[3-(dimethylamino)propoxy]pyrimidin-2-yl]-2,7-dimethyl-5-(4-methylphenyl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[2,7-dimethyl-5-(4-methylphenyl)-9-[5-[(3S)-1-methylpyrrolidin-3-yl]oxypyrimidin-2-yl]-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

C128H150Cl2N18O14 — CID 157383130

About (2S)-2-[5-(4-chlorophenyl)-9-[5-(1,1-dideuterioethoxy)pyrimidin-2-yl]-2,7-dimethyl-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(1S)-1-[5-(4-chlorophenyl)-2,7-dimethyl-9-(6-methylpyridazin-3-yl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(2S)-2-[9-[5-[3-(dimethylamino)propoxy]pyrimidin-2-yl]-2,7-dimethyl-5-(4-methylphenyl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[2,7-dimethyl-5-(4-methylphenyl)-9-[5-[(3S)-1-methylpyrrolidin-3-yl]oxypyrimidin-2-yl]-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

(2S)-2-[5-(4-chlorophenyl)-9-[5-(1,1-dideuterioethoxy)pyrimidin-2-yl]-2,7-dimethyl-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(1S)-1-[5-(4-chlorophenyl)-2,7-dimethyl-9-(6-methylpyridazin-3-yl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(2S)-2-[9-[5-[3-(dimethylamino)propoxy]pyrimidin-2-yl]-2,7-dimethyl-5-(4-methylphenyl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[2,7-dimethyl-5-(4-methylphenyl)-9-[5-[(3S)-1-methylpyrrolidin-3-yl]oxypyrimidin-2-yl]-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (PubChem CID 157383130) has the molecular formula C128H150Cl2N18O14 and a molecular weight of 2237.64 g/mol. Its IUPAC name is (2S)-2-[5-(4-chlorophenyl)-9-[5-(1,1-dideuterioethoxy)pyrimidin-2-yl]-2,7-dimethyl-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(1S)-1-[5-(4-chlorophenyl)-2,7-dimethyl-9-(6-methylpyridazin-3-yl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(2S)-2-[9-[5-[3-(dimethylamino)propoxy]pyrimidin-2-yl]-2,7-dimethyl-5-(4-methylphenyl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[2,7-dimethyl-5-(4-methylphenyl)-9-[5-[(3S)-1-methylpyrrolidin-3-yl]oxypyrimidin-2-yl]-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

Molecular Properties

• Compound Name: (2S)-2-[5-(4-chlorophenyl)-9-[5-(1,1-dideuterioethoxy)pyrimidin-2-yl]-2,7-dimethyl-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(1S)-1-[5-(4-chlorophenyl)-2,7-dimethyl-9-(6-methylpyridazin-3-yl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(2S)-2-[9-[5-[3-(dimethylamino)propoxy]pyrimidin-2-yl]-2,7-dimethyl-5-(4-methylphenyl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[2,7-dimethyl-5-(4-methylphenyl)-9-[5-[(3S)-1-methylpyrrolidin-3-yl]oxypyrimidin-2-yl]-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
• PubChem CID: 157383130
• Molecular Formula: C128H150Cl2N18O14
• Molecular Weight: 2237.64 g/mol
• Exact Mass: 2235.11
• IUPAC Name: (2S)-2-[5-(4-chlorophenyl)-9-[5-(1,1-dideuterioethoxy)pyrimidin-2-yl]-2,7-dimethyl-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(1S)-1-[5-(4-chlorophenyl)-2,7-dimethyl-9-(6-methylpyridazin-3-yl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(2S)-2-[9-[5-[3-(dimethylamino)propoxy]pyrimidin-2-yl]-2,7-dimethyl-5-(4-methylphenyl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[2,7-dimethyl-5-(4-methylphenyl)-9-[5-[(3S)-1-methylpyrrolidin-3-yl]oxypyrimidin-2-yl]-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
• SMILES: CC(=O)[C@@H](OC(C)(C)C)c1c(C)c2c3c(cc(C)n3CCN2c2ccc(C)nn2)c1-c1ccc(Cl)cc1.Cc1ccc(-c2c([C@H](OC(C)(C)C)C(=O)O)c(C)c3c4c2cc(C)n4CCN3c2ncc(OCCCN(C)C)cn2)cc1.Cc1ccc(-c2c([C@H](OC(C)(C)C)C(=O)O)c(C)c3c4c2cc(C)n4CCN3c2ncc(O[C@H]3CCN(C)C3)cn2)cc1.[2H]C([2H])(C)Oc1cnc(N2CCn3c(C)cc4c(-c5ccc(Cl)cc5)c([C@H](OC(C)(C)C)C(=O)O)c(C)c2c43)nc1
• InChI: InChI=1S/C34H41N5O4.C34H43N5O4.C30H33ClN4O4.C30H33ClN4O2/c1-20-8-10-23(11-9-20)28-26-16-21(2)38-14-15-39(33-35-17-25(18-36-33)42-24-12-13-37(7)19-24)29(30(26)38)22(3)27(28)31(32(40)41)43-34(4,5)6;1-21-10-12-24(13-11-21)28-26-18-22(2)38-15-16-39(33-35-19-25(20-36-33)42-17-9-14-37(7)8)29(30(26)38)23(3)27(28)31(32(40)41)43-34(4,5)6;1-7-38-21-15-32-29(33-16-21)35-13-12-34-17(2)14-22-24(19-8-10-20(31)11-9-19)23(18(3)25(35)26(22)34)27(28(36)37)39-30(4,5)6;1-17-8-13-24(33-32-17)35-15-14-34-18(2)16-23-26(21-9-11-22(31)12-10-21)25(19(3)27(35)28(23)34)29(20(4)36)37-30(5,6)7/h8-11,16-18,24,31H,12-15,19H2,1-7H3,(H,40,41);10-13,18-20,31H,9,14-17H2,1-8H3,(H,40,41);8-11,14-16,27H,7,12-13H2,1-6H3,(H,36,37);8-13,16,29H,14-15H2,1-7H3/t24-,31-;31-;27-;29-/m0001/s1/i;;7D2
• InChIKey: BLCUNCPWWUUZOE-RRWBCNCZSA-N
• XLogP: 26.78
• TPSA: 335.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 29
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2237.64
LogP ≤ 5	26.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[5-(4-chlorophenyl)-9-[5-(1,1-dideuterioethoxy)pyrimidin-2-yl]-2,7-dimethyl-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(1S)-1-[5-(4-chlorophenyl)-2,7-dimethyl-9-(6-methylpyridazin-3-yl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(2S)-2-[9-[5-[3-(dimethylamino)propoxy]pyrimidin-2-yl]-2,7-dimethyl-5-(4-methylphenyl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[2,7-dimethyl-5-(4-methylphenyl)-9-[5-[(3S)-1-methylpyrrolidin-3-yl]oxypyrimidin-2-yl]-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The IUPAC name of (2S)-2-[5-(4-chlorophenyl)-9-[5-(1,1-dideuterioethoxy)pyrimidin-2-yl]-2,7-dimethyl-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(1S)-1-[5-(4-chlorophenyl)-2,7-dimethyl-9-(6-methylpyridazin-3-yl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(2S)-2-[9-[5-[3-(dimethylamino)propoxy]pyrimidin-2-yl]-2,7-dimethyl-5-(4-methylphenyl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[2,7-dimethyl-5-(4-methylphenyl)-9-[5-[(3S)-1-methylpyrrolidin-3-yl]oxypyrimidin-2-yl]-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (CID 157383130) is (2S)-2-[5-(4-chlorophenyl)-9-[5-(1,1-dideuterioethoxy)pyrimidin-2-yl]-2,7-dimethyl-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(1S)-1-[5-(4-chlorophenyl)-2,7-dimethyl-9-(6-methylpyridazin-3-yl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(2S)-2-[9-[5-[3-(dimethylamino)propoxy]pyrimidin-2-yl]-2,7-dimethyl-5-(4-methylphenyl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[2,7-dimethyl-5-(4-methylphenyl)-9-[5-[(3S)-1-methylpyrrolidin-3-yl]oxypyrimidin-2-yl]-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

What is the SMILES notation for (2S)-2-[5-(4-chlorophenyl)-9-[5-(1,1-dideuterioethoxy)pyrimidin-2-yl]-2,7-dimethyl-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(1S)-1-[5-(4-chlorophenyl)-2,7-dimethyl-9-(6-methylpyridazin-3-yl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(2S)-2-[9-[5-[3-(dimethylamino)propoxy]pyrimidin-2-yl]-2,7-dimethyl-5-(4-methylphenyl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[2,7-dimethyl-5-(4-methylphenyl)-9-[5-[(3S)-1-methylpyrrolidin-3-yl]oxypyrimidin-2-yl]-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The canonical SMILES for (2S)-2-[5-(4-chlorophenyl)-9-[5-(1,1-dideuterioethoxy)pyrimidin-2-yl]-2,7-dimethyl-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(1S)-1-[5-(4-chlorophenyl)-2,7-dimethyl-9-(6-methylpyridazin-3-yl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(2S)-2-[9-[5-[3-(dimethylamino)propoxy]pyrimidin-2-yl]-2,7-dimethyl-5-(4-methylphenyl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[2,7-dimethyl-5-(4-methylphenyl)-9-[5-[(3S)-1-methylpyrrolidin-3-yl]oxypyrimidin-2-yl]-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is CC(=O)[C@@H](OC(C)(C)C)c1c(C)c2c3c(cc(C)n3CCN2c2ccc(C)nn2)c1-c1ccc(Cl)cc1.Cc1ccc(-c2c([C@H](OC(C)(C)C)C(=O)O)c(C)c3c4c2cc(C)n4CCN3c2ncc(OCCCN(C)C)cn2)cc1.Cc1ccc(-c2c([C@H](OC(C)(C)C)C(=O)O)c(C)c3c4c2cc(C)n4CCN3c2ncc(O[C@H]3CCN(C)C3)cn2)cc1.[2H]C([2H])(C)Oc1cnc(N2CCn3c(C)cc4c(-c5ccc(Cl)cc5)c([C@H](OC(C)(C)C)C(=O)O)c(C)c2c43)nc1.

What is the InChIKey of (2S)-2-[5-(4-chlorophenyl)-9-[5-(1,1-dideuterioethoxy)pyrimidin-2-yl]-2,7-dimethyl-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(1S)-1-[5-(4-chlorophenyl)-2,7-dimethyl-9-(6-methylpyridazin-3-yl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(2S)-2-[9-[5-[3-(dimethylamino)propoxy]pyrimidin-2-yl]-2,7-dimethyl-5-(4-methylphenyl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[2,7-dimethyl-5-(4-methylphenyl)-9-[5-[(3S)-1-methylpyrrolidin-3-yl]oxypyrimidin-2-yl]-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The InChIKey is BLCUNCPWWUUZOE-RRWBCNCZSA-N. The full InChI is InChI=1S/C34H41N5O4.C34H43N5O4.C30H33ClN4O4.C30H33ClN4O2/c1-20-8-10-23(11-9-20)28-26-16-21(2)38-14-15-39(33-35-17-25(18-36-33)42-24-12-13-37(7)19-24)29(30(26)38)22(3)27(28)31(32(40)41)43-34(4,5)6;1-21-10-12-24(13-11-21)28-26-18-22(2)38-15-16-39(33-35-19-25(20-36-33)42-17-9-14-37(7)8)29(30(26)38)23(3)27(28)31(32(40)41)43-34(4,5)6;1-7-38-21-15-32-29(33-16-21)35-13-12-34-17(2)14-22-24(19-8-10-20(31)11-9-19)23(18(3)25(35)26(22)34)27(28(36)37)39-30(4,5)6;1-17-8-13-24(33-32-17)35-15-14-34-18(2)16-23-26(21-9-11-22(31)12-10-21)25(19(3)27(35)28(23)34)29(20(4)36)37-30(5,6)7/h8-11,16-18,24,31H,12-15,19H2,1-7H3,(H,40,41);10-13,18-20,31H,9,14-17H2,1-8H3,(H,40,41);8-11,14-16,27H,7,12-13H2,1-6H3,(H,36,37);8-13,16,29H,14-15H2,1-7H3/t24-,31-;31-;27-;29-/m0001/s1/i;;7D2;.

What are the key properties of (2S)-2-[5-(4-chlorophenyl)-9-[5-(1,1-dideuterioethoxy)pyrimidin-2-yl]-2,7-dimethyl-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(1S)-1-[5-(4-chlorophenyl)-2,7-dimethyl-9-(6-methylpyridazin-3-yl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(2S)-2-[9-[5-[3-(dimethylamino)propoxy]pyrimidin-2-yl]-2,7-dimethyl-5-(4-methylphenyl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[2,7-dimethyl-5-(4-methylphenyl)-9-[5-[(3S)-1-methylpyrrolidin-3-yl]oxypyrimidin-2-yl]-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

(2S)-2-[5-(4-chlorophenyl)-9-[5-(1,1-dideuterioethoxy)pyrimidin-2-yl]-2,7-dimethyl-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(1S)-1-[5-(4-chlorophenyl)-2,7-dimethyl-9-(6-methylpyridazin-3-yl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(2S)-2-[9-[5-[3-(dimethylamino)propoxy]pyrimidin-2-yl]-2,7-dimethyl-5-(4-methylphenyl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[2,7-dimethyl-5-(4-methylphenyl)-9-[5-[(3S)-1-methylpyrrolidin-3-yl]oxypyrimidin-2-yl]-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid has a molecular weight of 2237.64 g/mol, XLogP of 26.78, 29 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[5-(4-chlorophenyl)-9-[5-(1,1-dideuterioethoxy)pyrimidin-2-yl]-2,7-dimethyl-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(1S)-1-[5-(4-chlorophenyl)-2,7-dimethyl-9-(6-methylpyridazin-3-yl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(2S)-2-[9-[5-[3-(dimethylamino)propoxy]pyrimidin-2-yl]-2,7-dimethyl-5-(4-methylphenyl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[2,7-dimethyl-5-(4-methylphenyl)-9-[5-[(3S)-1-methylpyrrolidin-3-yl]oxypyrimidin-2-yl]-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is sourced from PubChem (CID 157383130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).