[2-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-2-azabicyclo[3.1.0]hexan-1-yl] formate;2-[(2S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]azetidin-2-yl]acetic acid;[(2R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-hydroxy-4-(trifluoromethyl)pyrrolidin-2-yl] formate;[(2R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-methoxy-4-(trifluoromethyl)pyrrolidin-2-yl] formate;(2S)-1-[5-chloro-4-[(5-chloro-6-ethoxy-3-pyridinyl)oxy]-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;(2S)-2-[[4-[[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]amino]-3-methylbutanoic acid

C156H177Cl3F16N8O27 — CID 159931521

IUPAC[2-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-2-azabicyclo[3.1.0]hexan-1-yl] formate;2-[(2S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]azetidin-2-yl]acetic acid;[(2R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-hydroxy-4-(trifluoromethyl)pyrrolidin-2-yl] formate;[(2R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-methoxy-4-(trifluoromethyl)pyrrolidin-2-yl] formate;(2S)-1-[5-chloro-4-[(5-chloro-6-ethoxy-3-pyridinyl)oxy]-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;(2S)-2-[[4-[[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]amino]-3-methylbutanoic acid
SMILESCC(C)[C@H](NC(=O)c1cc(C2CC2)c(OCC2(F)CCN(Cc3cc(Cl)cc(C(F)(F)F)c3)CC2)cc1F)C(=O)O.CCOc1ncc(Oc2cc(F)c(C(=O)N3CCC[C@H]3C(=O)O)cc2Cl)cc1Cl.COC1(C(F)(F)F)C[C@@H](OC=O)N(C(=O)c2cc(C3CC3)c(OCC34CC5CC(CC(C5)C3)C4)cc2F)C1.O=C(O)C[C@@H]1CCN1C(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F.O=COC12CC1CCN2C(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F.O=CO[C@@H]1CC(O)(C(F)(F)F)CN1C(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F
InChIInChI=1S/C29H32ClF5N2O4.C28H33F4NO5.C27H31F4NO5.C27H32FNO4.C26H32FNO4.C19H17Cl2FN2O5/c1-16(2)25(27(39)40)36-26(38)22-12-21(18-3-4-18)24(13-23(22)31)41-15-28(32)5-7-37(8-6-28)14-17-9-19(29(33,34)35)11-20(30)10-17;1-36-27(28(30,31)32)12-24(38-15-34)33(13-27)25(35)21-7-20(19-2-3-19)23(8-22(21)29)37-14-26-9-16-4-17(10-26)6-18(5-16)11-26;28-21-7-22(36-13-25-8-15-3-16(9-25)5-17(4-15)10-25)19(18-1-2-18)6-20(21)24(34)32-12-26(35,27(29,30)31)11-23(32)37-14-33;28-23-9-24(32-14-26-10-16-5-17(11-26)7-18(6-16)12-26)21(19-1-2-19)8-22(23)25(31)29-4-3-20-13-27(20,29)33-15-30;27-22-10-23(32-14-26-11-15-5-16(12-26)7-17(6-15)13-26)20(18-1-2-18)9-21(22)25(31)28-4-3-19(28)8-24(29)30;1-2-28-17-13(21)6-10(9-23-17)29-16-8-14(22)11(7-12(16)20)18(25)24-5-3-4-15(24)19(26)27/h9-13,16,18,25H,3-8,14-15H2,1-2H3,(H,36,38)(H,39,40);7-8,15-19,24H,2-6,9-14H2,1H3;6-7,14-18,23,35H,1-5,8-13H2;8-9,15-20H,1-7,10-14H2;9-10,15-19H,1-8,11-14H2,(H,29,30);6-9,15H,2-5H2,1H3,(H,26,27)/t25-;16?,17?,18?,24-,26?,27?;15?,16?,17?,23-,25?,26?;;15?,16?,17?,19-,26?;15-/m011.00/s1
InChIKeyNZRWOEALOHNYBY-HYNDLBTMSA-N
MW3006.49 g/mol
LogP31.55
Rot. Bonds45

About [2-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-2-azabicyclo[3.1.0]hexan-1-yl] formate;2-[(2S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]azetidin-2-yl]acetic acid;[(2R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-hydroxy-4-(trifluoromethyl)pyrrolidin-2-yl] formate;[(2R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-methoxy-4-(trifluoromethyl)pyrrolidin-2-yl] formate;(2S)-1-[5-chloro-4-[(5-chloro-6-ethoxy-3-pyridinyl)oxy]-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;(2S)-2-[[4-[[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]amino]-3-methylbutanoic acid

[2-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-2-azabicyclo[3.1.0]hexan-1-yl] formate;2-[(2S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]azetidin-2-yl]acetic acid;[(2R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-hydroxy-4-(trifluoromethyl)pyrrolidin-2-yl] formate;[(2R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-methoxy-4-(trifluoromethyl)pyrrolidin-2-yl] formate;(2S)-1-[5-chloro-4-[(5-chloro-6-ethoxy-3-pyridinyl)oxy]-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;(2S)-2-[[4-[[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]amino]-3-methylbutanoic acid (PubChem CID 159931521) has the molecular formula C156H177Cl3F16N8O27 and a molecular weight of 3006.49 g/mol. Its IUPAC name is [2-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-2-azabicyclo[3.1.0]hexan-1-yl] formate;2-[(2S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]azetidin-2-yl]acetic acid;[(2R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-hydroxy-4-(trifluoromethyl)pyrrolidin-2-yl] formate;[(2R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-methoxy-4-(trifluoromethyl)pyrrolidin-2-yl] formate;(2S)-1-[5-chloro-4-[(5-chloro-6-ethoxy-3-pyridinyl)oxy]-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;(2S)-2-[[4-[[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name[2-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-2-azabicyclo[3.1.0]hexan-1-yl] formate;2-[(2S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]azetidin-2-yl]acetic acid;[(2R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-hydroxy-4-(trifluoromethyl)pyrrolidin-2-yl] formate;[(2R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-methoxy-4-(trifluoromethyl)pyrrolidin-2-yl] formate;(2S)-1-[5-chloro-4-[(5-chloro-6-ethoxy-3-pyridinyl)oxy]-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;(2S)-2-[[4-[[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]amino]-3-methylbutanoic acid
PubChem CID159931521
Molecular FormulaC156H177Cl3F16N8O27
Molecular Weight3006.49 g/mol
Exact Mass3003.15
IUPAC Name[2-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-2-azabicyclo[3.1.0]hexan-1-yl] formate;2-[(2S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]azetidin-2-yl]acetic acid;[(2R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-hydroxy-4-(trifluoromethyl)pyrrolidin-2-yl] formate;[(2R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-methoxy-4-(trifluoromethyl)pyrrolidin-2-yl] formate;(2S)-1-[5-chloro-4-[(5-chloro-6-ethoxy-3-pyridinyl)oxy]-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;(2S)-2-[[4-[[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]amino]-3-methylbutanoic acid
SMILESCC(C)[C@H](NC(=O)c1cc(C2CC2)c(OCC2(F)CCN(Cc3cc(Cl)cc(C(F)(F)F)c3)CC2)cc1F)C(=O)O.CCOc1ncc(Oc2cc(F)c(C(=O)N3CCC[C@H]3C(=O)O)cc2Cl)cc1Cl.COC1(C(F)(F)F)C[C@@H](OC=O)N(C(=O)c2cc(C3CC3)c(OCC34CC5CC(CC(C5)C3)C4)cc2F)C1.O=C(O)C[C@@H]1CCN1C(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F.O=COC12CC1CCN2C(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F.O=CO[C@@H]1CC(O)(C(F)(F)F)CN1C(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F
InChIInChI=1S/C29H32ClF5N2O4.C28H33F4NO5.C27H31F4NO5.C27H32FNO4.C26H32FNO4.C19H17Cl2FN2O5/c1-16(2)25(27(39)40)36-26(38)22-12-21(18-3-4-18)24(13-23(22)31)41-15-28(32)5-7-37(8-6-28)14-17-9-19(29(33,34)35)11-20(30)10-17;1-36-27(28(30,31)32)12-24(38-15-34)33(13-27)25(35)21-7-20(19-2-3-19)23(8-22(21)29)37-14-26-9-16-4-17(10-26)6-18(5-16)11-26;28-21-7-22(36-13-25-8-15-3-16(9-25)5-17(4-15)10-25)19(18-1-2-18)6-20(21)24(34)32-12-26(35,27(29,30)31)11-23(32)37-14-33;28-23-9-24(32-14-26-10-16-5-17(11-26)7-18(6-16)12-26)21(19-1-2-19)8-22(23)25(31)29-4-3-20-13-27(20,29)33-15-30;27-22-10-23(32-14-26-11-15-5-16(12-26)7-17(6-15)13-26)20(18-1-2-18)9-21(22)25(31)28-4-3-19(28)8-24(29)30;1-2-28-17-13(21)6-10(9-23-17)29-16-8-14(22)11(7-12(16)20)18(25)24-5-3-4-15(24)19(26)27/h9-13,16,18,25H,3-8,14-15H2,1-2H3,(H,36,38)(H,39,40);7-8,15-19,24H,2-6,9-14H2,1H3;6-7,14-18,23,35H,1-5,8-13H2;8-9,15-20H,1-7,10-14H2;9-10,15-19H,1-8,11-14H2,(H,29,30);6-9,15H,2-5H2,1H3,(H,26,27)/t25-;16?,17?,18?,24-,26?,27?;15?,16?,17?,23-,25?,26?;;15?,16?,17?,19-,26?;15-/m011.00/s1
InChIKeyNZRWOEALOHNYBY-HYNDLBTMSA-N
XLogP31.55
TPSA431.65 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds45
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003006.49
LogP ≤ 531.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze [2-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-2-azabicyclo[3.1.0]hexan-1-yl] formate;2-[(2S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]azetidin-2-yl]acetic acid;[(2R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-hydroxy-4-(trifluoromethyl)pyrrolidin-2-yl] formate;[(2R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-methoxy-4-(trifluoromethyl)pyrrolidin-2-yl] formate;(2S)-1-[5-chloro-4-[(5-chloro-6-ethoxy-3-pyridinyl)oxy]-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;(2S)-2-[[4-[[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]amino]-3-methylbutanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-2-azabicyclo[3.1.0]hexan-1-yl] formate;2-[(2S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]azetidin-2-yl]acetic acid;[(2R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-hydroxy-4-(trifluoromethyl)pyrrolidin-2-yl] formate;[(2R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-methoxy-4-(trifluoromethyl)pyrrolidin-2-yl] formate;(2S)-1-[5-chloro-4-[(5-chloro-6-ethoxy-3-pyridinyl)oxy]-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;(2S)-2-[[4-[[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]amino]-3-methylbutanoic acid?
The IUPAC name of [2-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-2-azabicyclo[3.1.0]hexan-1-yl] formate;2-[(2S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]azetidin-2-yl]acetic acid;[(2R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-hydroxy-4-(trifluoromethyl)pyrrolidin-2-yl] formate;[(2R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-methoxy-4-(trifluoromethyl)pyrrolidin-2-yl] formate;(2S)-1-[5-chloro-4-[(5-chloro-6-ethoxy-3-pyridinyl)oxy]-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;(2S)-2-[[4-[[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]amino]-3-methylbutanoic acid (CID 159931521) is [2-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-2-azabicyclo[3.1.0]hexan-1-yl] formate;2-[(2S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]azetidin-2-yl]acetic acid;[(2R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-hydroxy-4-(trifluoromethyl)pyrrolidin-2-yl] formate;[(2R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-methoxy-4-(trifluoromethyl)pyrrolidin-2-yl] formate;(2S)-1-[5-chloro-4-[(5-chloro-6-ethoxy-3-pyridinyl)oxy]-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;(2S)-2-[[4-[[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for [2-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-2-azabicyclo[3.1.0]hexan-1-yl] formate;2-[(2S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]azetidin-2-yl]acetic acid;[(2R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-hydroxy-4-(trifluoromethyl)pyrrolidin-2-yl] formate;[(2R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-methoxy-4-(trifluoromethyl)pyrrolidin-2-yl] formate;(2S)-1-[5-chloro-4-[(5-chloro-6-ethoxy-3-pyridinyl)oxy]-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;(2S)-2-[[4-[[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]amino]-3-methylbutanoic acid?
The canonical SMILES for [2-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-2-azabicyclo[3.1.0]hexan-1-yl] formate;2-[(2S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]azetidin-2-yl]acetic acid;[(2R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-hydroxy-4-(trifluoromethyl)pyrrolidin-2-yl] formate;[(2R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-methoxy-4-(trifluoromethyl)pyrrolidin-2-yl] formate;(2S)-1-[5-chloro-4-[(5-chloro-6-ethoxy-3-pyridinyl)oxy]-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;(2S)-2-[[4-[[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]amino]-3-methylbutanoic acid is CC(C)[C@H](NC(=O)c1cc(C2CC2)c(OCC2(F)CCN(Cc3cc(Cl)cc(C(F)(F)F)c3)CC2)cc1F)C(=O)O.CCOc1ncc(Oc2cc(F)c(C(=O)N3CCC[C@H]3C(=O)O)cc2Cl)cc1Cl.COC1(C(F)(F)F)C[C@@H](OC=O)N(C(=O)c2cc(C3CC3)c(OCC34CC5CC(CC(C5)C3)C4)cc2F)C1.O=C(O)C[C@@H]1CCN1C(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F.O=COC12CC1CCN2C(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F.O=CO[C@@H]1CC(O)(C(F)(F)F)CN1C(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F.
What is the InChIKey of [2-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-2-azabicyclo[3.1.0]hexan-1-yl] formate;2-[(2S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]azetidin-2-yl]acetic acid;[(2R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-hydroxy-4-(trifluoromethyl)pyrrolidin-2-yl] formate;[(2R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-methoxy-4-(trifluoromethyl)pyrrolidin-2-yl] formate;(2S)-1-[5-chloro-4-[(5-chloro-6-ethoxy-3-pyridinyl)oxy]-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;(2S)-2-[[4-[[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]amino]-3-methylbutanoic acid?
The InChIKey is NZRWOEALOHNYBY-HYNDLBTMSA-N. The full InChI is InChI=1S/C29H32ClF5N2O4.C28H33F4NO5.C27H31F4NO5.C27H32FNO4.C26H32FNO4.C19H17Cl2FN2O5/c1-16(2)25(27(39)40)36-26(38)22-12-21(18-3-4-18)24(13-23(22)31)41-15-28(32)5-7-37(8-6-28)14-17-9-19(29(33,34)35)11-20(30)10-17;1-36-27(28(30,31)32)12-24(38-15-34)33(13-27)25(35)21-7-20(19-2-3-19)23(8-22(21)29)37-14-26-9-16-4-17(10-26)6-18(5-16)11-26;28-21-7-22(36-13-25-8-15-3-16(9-25)5-17(4-15)10-25)19(18-1-2-18)6-20(21)24(34)32-12-26(35,27(29,30)31)11-23(32)37-14-33;28-23-9-24(32-14-26-10-16-5-17(11-26)7-18(6-16)12-26)21(19-1-2-19)8-22(23)25(31)29-4-3-20-13-27(20,29)33-15-30;27-22-10-23(32-14-26-11-15-5-16(12-26)7-17(6-15)13-26)20(18-1-2-18)9-21(22)25(31)28-4-3-19(28)8-24(29)30;1-2-28-17-13(21)6-10(9-23-17)29-16-8-14(22)11(7-12(16)20)18(25)24-5-3-4-15(24)19(26)27/h9-13,16,18,25H,3-8,14-15H2,1-2H3,(H,36,38)(H,39,40);7-8,15-19,24H,2-6,9-14H2,1H3;6-7,14-18,23,35H,1-5,8-13H2;8-9,15-20H,1-7,10-14H2;9-10,15-19H,1-8,11-14H2,(H,29,30);6-9,15H,2-5H2,1H3,(H,26,27)/t25-;16?,17?,18?,24-,26?,27?;15?,16?,17?,23-,25?,26?;;15?,16?,17?,19-,26?;15-/m011.00/s1.
What are the key properties of [2-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-2-azabicyclo[3.1.0]hexan-1-yl] formate;2-[(2S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]azetidin-2-yl]acetic acid;[(2R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-hydroxy-4-(trifluoromethyl)pyrrolidin-2-yl] formate;[(2R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-methoxy-4-(trifluoromethyl)pyrrolidin-2-yl] formate;(2S)-1-[5-chloro-4-[(5-chloro-6-ethoxy-3-pyridinyl)oxy]-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;(2S)-2-[[4-[[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]amino]-3-methylbutanoic acid?
[2-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-2-azabicyclo[3.1.0]hexan-1-yl] formate;2-[(2S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]azetidin-2-yl]acetic acid;[(2R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-hydroxy-4-(trifluoromethyl)pyrrolidin-2-yl] formate;[(2R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-methoxy-4-(trifluoromethyl)pyrrolidin-2-yl] formate;(2S)-1-[5-chloro-4-[(5-chloro-6-ethoxy-3-pyridinyl)oxy]-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;(2S)-2-[[4-[[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]amino]-3-methylbutanoic acid has a molecular weight of 3006.49 g/mol, XLogP of 31.55, 45 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-2-azabicyclo[3.1.0]hexan-1-yl] formate;2-[(2S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]azetidin-2-yl]acetic acid;[(2R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-hydroxy-4-(trifluoromethyl)pyrrolidin-2-yl] formate;[(2R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-methoxy-4-(trifluoromethyl)pyrrolidin-2-yl] formate;(2S)-1-[5-chloro-4-[(5-chloro-6-ethoxy-3-pyridinyl)oxy]-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid;(2S)-2-[[4-[[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-fluoropiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluorobenzoyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 159931521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).