tert-butyl N-[4-[4-[[3-carbamoyl-1-[4-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]propyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;N-[3-carbamoyl-1-[4-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]propyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;4-[3-carbamoyl-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]cyclohexane-1-carboxylic acid;3-[3-methyl-4-[3-[3-(methylamino)propoxy]propyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;phosphanylphosphane

C136H166F9N33O29P2 — CID 157064188

IUPACtert-butyl N-[4-[4-[[3-carbamoyl-1-[4-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]propyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;N-[3-carbamoyl-1-[4-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]propyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;4-[3-carbamoyl-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]cyclohexane-1-carboxylic acid;3-[3-methyl-4-[3-[3-(methylamino)propoxy]propyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;phosphanylphosphane
SMILESCC(C)(C)OC(=O)N(CC(F)(F)F)c1cc(-c2nc(C(=O)Nc3cn(C4CCC(C(=O)O)CC4)nc3C(N)=O)co2)ccn1.CN(CCCOCCCc1cccc2c1n(C)c(=O)n2C1CCC(=O)NC1=O)C(=O)C1CCC(n2cc(NC(=O)c3coc(-c4ccnc(N(CC(F)(F)F)C(=O)OC(C)(C)C)c4)n3)c(C(N)=O)n2)CC1.CN(CCCOCCCc1cccc2c1n(C)c(=O)n2C1CCC(=O)NC1=O)C(=O)C1CCC(n2cc(NC(=O)c3coc(-c4ccnc(NCC(F)(F)F)c4)n3)c(C(N)=O)n2)CC1.CNCCCOCCCc1cccc2c1n(C)c(=O)n2C1CCC(=O)NC1=O.PP
InChIInChI=1S/C47H56F3N11O10.C42H48F3N11O8.C27H30F3N7O7.C20H28N4O4.H4P2/c1-46(2,3)71-45(68)59(26-47(48,49)50)35-23-29(18-19-52-35)42-54-32(25-70-42)40(64)53-31-24-60(56-37(31)39(51)63)30-14-12-28(13-15-30)43(66)57(4)20-8-22-69-21-7-10-27-9-6-11-33-38(27)58(5)44(67)61(33)34-16-17-36(62)55-41(34)65;1-53(17-5-19-63-18-4-7-24-6-3-8-30-35(24)54(2)41(62)56(30)31-13-14-33(57)51-38(31)60)40(61)25-9-11-27(12-10-25)55-21-28(34(52-55)36(46)58)49-37(59)29-22-64-39(50-29)26-15-16-47-32(20-26)48-23-42(43,44)45;1-26(2,3)44-25(42)36(13-27(28,29)30)19-10-15(8-9-32-19)23-34-18(12-43-23)22(39)33-17-11-37(35-20(17)21(31)38)16-6-4-14(5-7-16)24(40)41;1-21-11-5-13-28-12-4-7-14-6-3-8-15-18(14)23(2)20(27)24(15)16-9-10-17(25)22-19(16)26;1-2/h6,9,11,18-19,23-25,28,30,34H,7-8,10,12-17,20-22,26H2,1-5H3,(H2,51,63)(H,53,64)(H,55,62,65);3,6,8,15-16,20-22,25,27,31H,4-5,7,9-14,17-19,23H2,1-2H3,(H2,46,58)(H,47,48)(H,49,59)(H,51,57,60);8-12,14,16H,4-7,13H2,1-3H3,(H2,31,38)(H,33,39)(H,40,41);3,6,8,16,21H,4-5,7,9-13H2,1-2H3,(H,22,25,26);1-2H2
InChIKeyABRIHAKTJYNLOB-UHFFFAOYSA-N
MW2959.96 g/mol
LogP15.50
Rot. Bonds51

About tert-butyl N-[4-[4-[[3-carbamoyl-1-[4-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]propyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;N-[3-carbamoyl-1-[4-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]propyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;4-[3-carbamoyl-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]cyclohexane-1-carboxylic acid;3-[3-methyl-4-[3-[3-(methylamino)propoxy]propyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;phosphanylphosphane

tert-butyl N-[4-[4-[[3-carbamoyl-1-[4-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]propyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;N-[3-carbamoyl-1-[4-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]propyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;4-[3-carbamoyl-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]cyclohexane-1-carboxylic acid;3-[3-methyl-4-[3-[3-(methylamino)propoxy]propyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;phosphanylphosphane (PubChem CID 157064188) has the molecular formula C136H166F9N33O29P2 and a molecular weight of 2959.96 g/mol. Its IUPAC name is tert-butyl N-[4-[4-[[3-carbamoyl-1-[4-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]propyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;N-[3-carbamoyl-1-[4-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]propyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;4-[3-carbamoyl-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]cyclohexane-1-carboxylic acid;3-[3-methyl-4-[3-[3-(methylamino)propoxy]propyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;phosphanylphosphane.

Molecular Properties

Compound Nametert-butyl N-[4-[4-[[3-carbamoyl-1-[4-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]propyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;N-[3-carbamoyl-1-[4-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]propyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;4-[3-carbamoyl-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]cyclohexane-1-carboxylic acid;3-[3-methyl-4-[3-[3-(methylamino)propoxy]propyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;phosphanylphosphane
PubChem CID157064188
Molecular FormulaC136H166F9N33O29P2
Molecular Weight2959.96 g/mol
Exact Mass2958.19
IUPAC Nametert-butyl N-[4-[4-[[3-carbamoyl-1-[4-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]propyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;N-[3-carbamoyl-1-[4-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]propyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;4-[3-carbamoyl-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]cyclohexane-1-carboxylic acid;3-[3-methyl-4-[3-[3-(methylamino)propoxy]propyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;phosphanylphosphane
SMILESCC(C)(C)OC(=O)N(CC(F)(F)F)c1cc(-c2nc(C(=O)Nc3cn(C4CCC(C(=O)O)CC4)nc3C(N)=O)co2)ccn1.CN(CCCOCCCc1cccc2c1n(C)c(=O)n2C1CCC(=O)NC1=O)C(=O)C1CCC(n2cc(NC(=O)c3coc(-c4ccnc(N(CC(F)(F)F)C(=O)OC(C)(C)C)c4)n3)c(C(N)=O)n2)CC1.CN(CCCOCCCc1cccc2c1n(C)c(=O)n2C1CCC(=O)NC1=O)C(=O)C1CCC(n2cc(NC(=O)c3coc(-c4ccnc(NCC(F)(F)F)c4)n3)c(C(N)=O)n2)CC1.CNCCCOCCCc1cccc2c1n(C)c(=O)n2C1CCC(=O)NC1=O.PP
InChIInChI=1S/C47H56F3N11O10.C42H48F3N11O8.C27H30F3N7O7.C20H28N4O4.H4P2/c1-46(2,3)71-45(68)59(26-47(48,49)50)35-23-29(18-19-52-35)42-54-32(25-70-42)40(64)53-31-24-60(56-37(31)39(51)63)30-14-12-28(13-15-30)43(66)57(4)20-8-22-69-21-7-10-27-9-6-11-33-38(27)58(5)44(67)61(33)34-16-17-36(62)55-41(34)65;1-53(17-5-19-63-18-4-7-24-6-3-8-30-35(24)54(2)41(62)56(30)31-13-14-33(57)51-38(31)60)40(61)25-9-11-27(12-10-25)55-21-28(34(52-55)36(46)58)49-37(59)29-22-64-39(50-29)26-15-16-47-32(20-26)48-23-42(43,44)45;1-26(2,3)44-25(42)36(13-27(28,29)30)19-10-15(8-9-32-19)23-34-18(12-43-23)22(39)33-17-11-37(35-20(17)21(31)38)16-6-4-14(5-7-16)24(40)41;1-21-11-5-13-28-12-4-7-14-6-3-8-15-18(14)23(2)20(27)24(15)16-9-10-17(25)22-19(16)26;1-2/h6,9,11,18-19,23-25,28,30,34H,7-8,10,12-17,20-22,26H2,1-5H3,(H2,51,63)(H,53,64)(H,55,62,65);3,6,8,15-16,20-22,25,27,31H,4-5,7,9-14,17-19,23H2,1-2H3,(H2,46,58)(H,47,48)(H,49,59)(H,51,57,60);8-12,14,16H,4-7,13H2,1-3H3,(H2,31,38)(H,33,39)(H,40,41);3,6,8,16,21H,4-5,7,9-13H2,1-2H3,(H,22,25,26);1-2H2
InChIKeyABRIHAKTJYNLOB-UHFFFAOYSA-N
XLogP15.50
TPSA794.84 Ų
H-Bond Donors12
H-Bond Acceptors48
Rotatable Bonds51
Heavy Atoms209
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002959.96
LogP ≤ 515.50
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

Analyze tert-butyl N-[4-[4-[[3-carbamoyl-1-[4-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]propyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;N-[3-carbamoyl-1-[4-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]propyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;4-[3-carbamoyl-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]cyclohexane-1-carboxylic acid;3-[3-methyl-4-[3-[3-(methylamino)propoxy]propyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;phosphanylphosphane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[4-[[3-carbamoyl-1-[4-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]propyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;N-[3-carbamoyl-1-[4-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]propyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;4-[3-carbamoyl-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]cyclohexane-1-carboxylic acid;3-[3-methyl-4-[3-[3-(methylamino)propoxy]propyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;phosphanylphosphane?
The IUPAC name of tert-butyl N-[4-[4-[[3-carbamoyl-1-[4-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]propyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;N-[3-carbamoyl-1-[4-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]propyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;4-[3-carbamoyl-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]cyclohexane-1-carboxylic acid;3-[3-methyl-4-[3-[3-(methylamino)propoxy]propyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;phosphanylphosphane (CID 157064188) is tert-butyl N-[4-[4-[[3-carbamoyl-1-[4-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]propyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;N-[3-carbamoyl-1-[4-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]propyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;4-[3-carbamoyl-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]cyclohexane-1-carboxylic acid;3-[3-methyl-4-[3-[3-(methylamino)propoxy]propyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;phosphanylphosphane.
What is the SMILES notation for tert-butyl N-[4-[4-[[3-carbamoyl-1-[4-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]propyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;N-[3-carbamoyl-1-[4-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]propyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;4-[3-carbamoyl-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]cyclohexane-1-carboxylic acid;3-[3-methyl-4-[3-[3-(methylamino)propoxy]propyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;phosphanylphosphane?
The canonical SMILES for tert-butyl N-[4-[4-[[3-carbamoyl-1-[4-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]propyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;N-[3-carbamoyl-1-[4-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]propyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;4-[3-carbamoyl-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]cyclohexane-1-carboxylic acid;3-[3-methyl-4-[3-[3-(methylamino)propoxy]propyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;phosphanylphosphane is CC(C)(C)OC(=O)N(CC(F)(F)F)c1cc(-c2nc(C(=O)Nc3cn(C4CCC(C(=O)O)CC4)nc3C(N)=O)co2)ccn1.CN(CCCOCCCc1cccc2c1n(C)c(=O)n2C1CCC(=O)NC1=O)C(=O)C1CCC(n2cc(NC(=O)c3coc(-c4ccnc(N(CC(F)(F)F)C(=O)OC(C)(C)C)c4)n3)c(C(N)=O)n2)CC1.CN(CCCOCCCc1cccc2c1n(C)c(=O)n2C1CCC(=O)NC1=O)C(=O)C1CCC(n2cc(NC(=O)c3coc(-c4ccnc(NCC(F)(F)F)c4)n3)c(C(N)=O)n2)CC1.CNCCCOCCCc1cccc2c1n(C)c(=O)n2C1CCC(=O)NC1=O.PP.
What is the InChIKey of tert-butyl N-[4-[4-[[3-carbamoyl-1-[4-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]propyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;N-[3-carbamoyl-1-[4-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]propyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;4-[3-carbamoyl-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]cyclohexane-1-carboxylic acid;3-[3-methyl-4-[3-[3-(methylamino)propoxy]propyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;phosphanylphosphane?
The InChIKey is ABRIHAKTJYNLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H56F3N11O10.C42H48F3N11O8.C27H30F3N7O7.C20H28N4O4.H4P2/c1-46(2,3)71-45(68)59(26-47(48,49)50)35-23-29(18-19-52-35)42-54-32(25-70-42)40(64)53-31-24-60(56-37(31)39(51)63)30-14-12-28(13-15-30)43(66)57(4)20-8-22-69-21-7-10-27-9-6-11-33-38(27)58(5)44(67)61(33)34-16-17-36(62)55-41(34)65;1-53(17-5-19-63-18-4-7-24-6-3-8-30-35(24)54(2)41(62)56(30)31-13-14-33(57)51-38(31)60)40(61)25-9-11-27(12-10-25)55-21-28(34(52-55)36(46)58)49-37(59)29-22-64-39(50-29)26-15-16-47-32(20-26)48-23-42(43,44)45;1-26(2,3)44-25(42)36(13-27(28,29)30)19-10-15(8-9-32-19)23-34-18(12-43-23)22(39)33-17-11-37(35-20(17)21(31)38)16-6-4-14(5-7-16)24(40)41;1-21-11-5-13-28-12-4-7-14-6-3-8-15-18(14)23(2)20(27)24(15)16-9-10-17(25)22-19(16)26;1-2/h6,9,11,18-19,23-25,28,30,34H,7-8,10,12-17,20-22,26H2,1-5H3,(H2,51,63)(H,53,64)(H,55,62,65);3,6,8,15-16,20-22,25,27,31H,4-5,7,9-14,17-19,23H2,1-2H3,(H2,46,58)(H,47,48)(H,49,59)(H,51,57,60);8-12,14,16H,4-7,13H2,1-3H3,(H2,31,38)(H,33,39)(H,40,41);3,6,8,16,21H,4-5,7,9-13H2,1-2H3,(H,22,25,26);1-2H2.
What are the key properties of tert-butyl N-[4-[4-[[3-carbamoyl-1-[4-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]propyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;N-[3-carbamoyl-1-[4-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]propyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;4-[3-carbamoyl-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]cyclohexane-1-carboxylic acid;3-[3-methyl-4-[3-[3-(methylamino)propoxy]propyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;phosphanylphosphane?
tert-butyl N-[4-[4-[[3-carbamoyl-1-[4-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]propyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;N-[3-carbamoyl-1-[4-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]propyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;4-[3-carbamoyl-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]cyclohexane-1-carboxylic acid;3-[3-methyl-4-[3-[3-(methylamino)propoxy]propyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;phosphanylphosphane has a molecular weight of 2959.96 g/mol, XLogP of 15.50, 51 rotatable bonds, 12 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[4-[[3-carbamoyl-1-[4-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]propyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;N-[3-carbamoyl-1-[4-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]propyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;4-[3-carbamoyl-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]cyclohexane-1-carboxylic acid;3-[3-methyl-4-[3-[3-(methylamino)propoxy]propyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;phosphanylphosphane is sourced from PubChem (CID 157064188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).