1-azido-2-[2-(bromomethoxy)ethoxy]ethane;2-[[4-[4-[2-[2-(2-azidoethoxy)ethoxy]ethyl]piperazin-1-yl]-2-methoxyphenyl]methyl]-5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidine;tert-butyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate;tert-butyl 4-[4-[[5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidin-2-yl]methyl]-3-methoxyphenyl]piperazine-1-carboxylate;N-[2-[2-[2-[4-[4-[[5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidin-2-yl]methyl]-3-methoxyphenyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide;2,5-dichloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidine;3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoic acid

C162H200BrCl5N28O33S4 — CID 167664193

IUPAC1-azido-2-[2-(bromomethoxy)ethoxy]ethane;2-[[4-[4-[2-[2-(2-azidoethoxy)ethoxy]ethyl]piperazin-1-yl]-2-methoxyphenyl]methyl]-5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidine;tert-butyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate;tert-butyl 4-[4-[[5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidin-2-yl]methyl]-3-methoxyphenyl]piperazine-1-carboxylate;N-[2-[2-[2-[4-[4-[[5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidin-2-yl]methyl]-3-methoxyphenyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide;2,5-dichloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidine;3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoic acid
SMILESCC(C)S(=O)(=O)c1ccccc1Cc1nc(Cl)ncc1Cl.COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1Cc1ncc(Cl)c(Cc2ccccc2S(=O)(=O)C(C)C)n1.COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1N.COc1cc(N2CCN(CCOCCOCCN=[N+]=[N-])CC2)ccc1Cc1ncc(Cl)c(Cc2ccccc2S(=O)(=O)C(C)C)n1.COc1cc(N2CCN(CCOCCOCCNC(=O)CCc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)ccc1Cc1ncc(Cl)c(Cc2ccccc2S(=O)(=O)C(C)C)n1.O=C(O)CCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.[N-]=[N+]=NCCOCCOCBr
InChIInChI=1S/C48H56ClN7O10S.C32H42ClN7O5S.C31H39ClN4O5S.C16H25N3O3.C16H14N2O6.C14H14Cl2N2O2S.C5H10BrN3O2/c1-31(2)67(62,63)41-10-5-4-7-34(41)27-38-37(49)30-51-42(52-38)28-33-11-13-35(29-40(33)64-3)55-20-18-54(19-21-55)22-24-66-26-25-65-23-17-50-43(57)15-12-32-8-6-9-36-45(32)48(61)56(47(36)60)39-14-16-44(58)53-46(39)59;1-24(2)46(41,42)31-7-5-4-6-26(31)20-29-28(33)23-35-32(37-29)21-25-8-9-27(22-30(25)43-3)40-13-11-39(12-14-40)15-17-45-19-18-44-16-10-36-38-34;1-21(2)42(38,39)28-10-8-7-9-23(28)17-26-25(32)20-33-29(34-26)18-22-11-12-24(19-27(22)40-6)35-13-15-36(16-14-35)30(37)41-31(3,4)5;1-16(2,3)22-15(20)19-9-7-18(8-10-19)12-5-6-13(17)14(11-12)21-4;19-11-6-5-10(14(22)17-11)18-15(23)9-3-1-2-8(4-7-12(20)21)13(9)16(18)24;1-9(2)21(19,20)13-6-4-3-5-10(13)7-12-11(15)8-17-14(16)18-12;6-5-11-4-3-10-2-1-8-9-7/h4-11,13,29-31,39H,12,14-28H2,1-3H3,(H,50,57)(H,53,58,59);4-9,22-24H,10-21H2,1-3H3;7-12,19-21H,13-18H2,1-6H3;5-6,11H,7-10,17H2,1-4H3;1-3,10H,4-7H2,(H,20,21)(H,17,19,22);3-6,8-9H,7H2,1-2H3;1-5H2
InChIKeySJVQKAYYAIBPJZ-UHFFFAOYSA-N
MW3452.98 g/mol
LogP22.01
Rot. Bonds63

About 1-azido-2-[2-(bromomethoxy)ethoxy]ethane;2-[[4-[4-[2-[2-(2-azidoethoxy)ethoxy]ethyl]piperazin-1-yl]-2-methoxyphenyl]methyl]-5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidine;tert-butyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate;tert-butyl 4-[4-[[5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidin-2-yl]methyl]-3-methoxyphenyl]piperazine-1-carboxylate;N-[2-[2-[2-[4-[4-[[5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidin-2-yl]methyl]-3-methoxyphenyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide;2,5-dichloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidine;3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoic acid

1-azido-2-[2-(bromomethoxy)ethoxy]ethane;2-[[4-[4-[2-[2-(2-azidoethoxy)ethoxy]ethyl]piperazin-1-yl]-2-methoxyphenyl]methyl]-5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidine;tert-butyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate;tert-butyl 4-[4-[[5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidin-2-yl]methyl]-3-methoxyphenyl]piperazine-1-carboxylate;N-[2-[2-[2-[4-[4-[[5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidin-2-yl]methyl]-3-methoxyphenyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide;2,5-dichloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidine;3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoic acid (PubChem CID 167664193) has the molecular formula C162H200BrCl5N28O33S4 and a molecular weight of 3452.98 g/mol. Its IUPAC name is 1-azido-2-[2-(bromomethoxy)ethoxy]ethane;2-[[4-[4-[2-[2-(2-azidoethoxy)ethoxy]ethyl]piperazin-1-yl]-2-methoxyphenyl]methyl]-5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidine;tert-butyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate;tert-butyl 4-[4-[[5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidin-2-yl]methyl]-3-methoxyphenyl]piperazine-1-carboxylate;N-[2-[2-[2-[4-[4-[[5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidin-2-yl]methyl]-3-methoxyphenyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide;2,5-dichloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidine;3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoic acid.

Molecular Properties

Compound Name1-azido-2-[2-(bromomethoxy)ethoxy]ethane;2-[[4-[4-[2-[2-(2-azidoethoxy)ethoxy]ethyl]piperazin-1-yl]-2-methoxyphenyl]methyl]-5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidine;tert-butyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate;tert-butyl 4-[4-[[5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidin-2-yl]methyl]-3-methoxyphenyl]piperazine-1-carboxylate;N-[2-[2-[2-[4-[4-[[5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidin-2-yl]methyl]-3-methoxyphenyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide;2,5-dichloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidine;3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoic acid
PubChem CID167664193
Molecular FormulaC162H200BrCl5N28O33S4
Molecular Weight3452.98 g/mol
Exact Mass3447.13
IUPAC Name1-azido-2-[2-(bromomethoxy)ethoxy]ethane;2-[[4-[4-[2-[2-(2-azidoethoxy)ethoxy]ethyl]piperazin-1-yl]-2-methoxyphenyl]methyl]-5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidine;tert-butyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate;tert-butyl 4-[4-[[5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidin-2-yl]methyl]-3-methoxyphenyl]piperazine-1-carboxylate;N-[2-[2-[2-[4-[4-[[5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidin-2-yl]methyl]-3-methoxyphenyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide;2,5-dichloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidine;3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoic acid
SMILESCC(C)S(=O)(=O)c1ccccc1Cc1nc(Cl)ncc1Cl.COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1Cc1ncc(Cl)c(Cc2ccccc2S(=O)(=O)C(C)C)n1.COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1N.COc1cc(N2CCN(CCOCCOCCN=[N+]=[N-])CC2)ccc1Cc1ncc(Cl)c(Cc2ccccc2S(=O)(=O)C(C)C)n1.COc1cc(N2CCN(CCOCCOCCNC(=O)CCc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)ccc1Cc1ncc(Cl)c(Cc2ccccc2S(=O)(=O)C(C)C)n1.O=C(O)CCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.[N-]=[N+]=NCCOCCOCBr
InChIInChI=1S/C48H56ClN7O10S.C32H42ClN7O5S.C31H39ClN4O5S.C16H25N3O3.C16H14N2O6.C14H14Cl2N2O2S.C5H10BrN3O2/c1-31(2)67(62,63)41-10-5-4-7-34(41)27-38-37(49)30-51-42(52-38)28-33-11-13-35(29-40(33)64-3)55-20-18-54(19-21-55)22-24-66-26-25-65-23-17-50-43(57)15-12-32-8-6-9-36-45(32)48(61)56(47(36)60)39-14-16-44(58)53-46(39)59;1-24(2)46(41,42)31-7-5-4-6-26(31)20-29-28(33)23-35-32(37-29)21-25-8-9-27(22-30(25)43-3)40-13-11-39(12-14-40)15-17-45-19-18-44-16-10-36-38-34;1-21(2)42(38,39)28-10-8-7-9-23(28)17-26-25(32)20-33-29(34-26)18-22-11-12-24(19-27(22)40-6)35-13-15-36(16-14-35)30(37)41-31(3,4)5;1-16(2,3)22-15(20)19-9-7-18(8-10-19)12-5-6-13(17)14(11-12)21-4;19-11-6-5-10(14(22)17-11)18-15(23)9-3-1-2-8(4-7-12(20)21)13(9)16(18)24;1-9(2)21(19,20)13-6-4-3-5-10(13)7-12-11(15)8-17-14(16)18-12;6-5-11-4-3-10-2-1-8-9-7/h4-11,13,29-31,39H,12,14-28H2,1-3H3,(H,50,57)(H,53,58,59);4-9,22-24H,10-21H2,1-3H3;7-12,19-21H,13-18H2,1-6H3;5-6,11H,7-10,17H2,1-4H3;1-3,10H,4-7H2,(H,20,21)(H,17,19,22);3-6,8-9H,7H2,1-2H3;1-5H2
InChIKeySJVQKAYYAIBPJZ-UHFFFAOYSA-N
XLogP22.01
TPSA767.54 Ų
H-Bond Donors5
H-Bond Acceptors49
Rotatable Bonds63
Heavy Atoms233
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003452.98
LogP ≤ 522.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}

Analyze 1-azido-2-[2-(bromomethoxy)ethoxy]ethane;2-[[4-[4-[2-[2-(2-azidoethoxy)ethoxy]ethyl]piperazin-1-yl]-2-methoxyphenyl]methyl]-5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidine;tert-butyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate;tert-butyl 4-[4-[[5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidin-2-yl]methyl]-3-methoxyphenyl]piperazine-1-carboxylate;N-[2-[2-[2-[4-[4-[[5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidin-2-yl]methyl]-3-methoxyphenyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide;2,5-dichloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidine;3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-azido-2-[2-(bromomethoxy)ethoxy]ethane;2-[[4-[4-[2-[2-(2-azidoethoxy)ethoxy]ethyl]piperazin-1-yl]-2-methoxyphenyl]methyl]-5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidine;tert-butyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate;tert-butyl 4-[4-[[5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidin-2-yl]methyl]-3-methoxyphenyl]piperazine-1-carboxylate;N-[2-[2-[2-[4-[4-[[5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidin-2-yl]methyl]-3-methoxyphenyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide;2,5-dichloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidine;3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoic acid?
The IUPAC name of 1-azido-2-[2-(bromomethoxy)ethoxy]ethane;2-[[4-[4-[2-[2-(2-azidoethoxy)ethoxy]ethyl]piperazin-1-yl]-2-methoxyphenyl]methyl]-5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidine;tert-butyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate;tert-butyl 4-[4-[[5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidin-2-yl]methyl]-3-methoxyphenyl]piperazine-1-carboxylate;N-[2-[2-[2-[4-[4-[[5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidin-2-yl]methyl]-3-methoxyphenyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide;2,5-dichloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidine;3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoic acid (CID 167664193) is 1-azido-2-[2-(bromomethoxy)ethoxy]ethane;2-[[4-[4-[2-[2-(2-azidoethoxy)ethoxy]ethyl]piperazin-1-yl]-2-methoxyphenyl]methyl]-5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidine;tert-butyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate;tert-butyl 4-[4-[[5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidin-2-yl]methyl]-3-methoxyphenyl]piperazine-1-carboxylate;N-[2-[2-[2-[4-[4-[[5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidin-2-yl]methyl]-3-methoxyphenyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide;2,5-dichloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidine;3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoic acid.
What is the SMILES notation for 1-azido-2-[2-(bromomethoxy)ethoxy]ethane;2-[[4-[4-[2-[2-(2-azidoethoxy)ethoxy]ethyl]piperazin-1-yl]-2-methoxyphenyl]methyl]-5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidine;tert-butyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate;tert-butyl 4-[4-[[5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidin-2-yl]methyl]-3-methoxyphenyl]piperazine-1-carboxylate;N-[2-[2-[2-[4-[4-[[5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidin-2-yl]methyl]-3-methoxyphenyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide;2,5-dichloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidine;3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoic acid?
The canonical SMILES for 1-azido-2-[2-(bromomethoxy)ethoxy]ethane;2-[[4-[4-[2-[2-(2-azidoethoxy)ethoxy]ethyl]piperazin-1-yl]-2-methoxyphenyl]methyl]-5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidine;tert-butyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate;tert-butyl 4-[4-[[5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidin-2-yl]methyl]-3-methoxyphenyl]piperazine-1-carboxylate;N-[2-[2-[2-[4-[4-[[5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidin-2-yl]methyl]-3-methoxyphenyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide;2,5-dichloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidine;3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoic acid is CC(C)S(=O)(=O)c1ccccc1Cc1nc(Cl)ncc1Cl.COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1Cc1ncc(Cl)c(Cc2ccccc2S(=O)(=O)C(C)C)n1.COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1N.COc1cc(N2CCN(CCOCCOCCN=[N+]=[N-])CC2)ccc1Cc1ncc(Cl)c(Cc2ccccc2S(=O)(=O)C(C)C)n1.COc1cc(N2CCN(CCOCCOCCNC(=O)CCc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)ccc1Cc1ncc(Cl)c(Cc2ccccc2S(=O)(=O)C(C)C)n1.O=C(O)CCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.[N-]=[N+]=NCCOCCOCBr.
What is the InChIKey of 1-azido-2-[2-(bromomethoxy)ethoxy]ethane;2-[[4-[4-[2-[2-(2-azidoethoxy)ethoxy]ethyl]piperazin-1-yl]-2-methoxyphenyl]methyl]-5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidine;tert-butyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate;tert-butyl 4-[4-[[5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidin-2-yl]methyl]-3-methoxyphenyl]piperazine-1-carboxylate;N-[2-[2-[2-[4-[4-[[5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidin-2-yl]methyl]-3-methoxyphenyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide;2,5-dichloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidine;3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoic acid?
The InChIKey is SJVQKAYYAIBPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H56ClN7O10S.C32H42ClN7O5S.C31H39ClN4O5S.C16H25N3O3.C16H14N2O6.C14H14Cl2N2O2S.C5H10BrN3O2/c1-31(2)67(62,63)41-10-5-4-7-34(41)27-38-37(49)30-51-42(52-38)28-33-11-13-35(29-40(33)64-3)55-20-18-54(19-21-55)22-24-66-26-25-65-23-17-50-43(57)15-12-32-8-6-9-36-45(32)48(61)56(47(36)60)39-14-16-44(58)53-46(39)59;1-24(2)46(41,42)31-7-5-4-6-26(31)20-29-28(33)23-35-32(37-29)21-25-8-9-27(22-30(25)43-3)40-13-11-39(12-14-40)15-17-45-19-18-44-16-10-36-38-34;1-21(2)42(38,39)28-10-8-7-9-23(28)17-26-25(32)20-33-29(34-26)18-22-11-12-24(19-27(22)40-6)35-13-15-36(16-14-35)30(37)41-31(3,4)5;1-16(2,3)22-15(20)19-9-7-18(8-10-19)12-5-6-13(17)14(11-12)21-4;19-11-6-5-10(14(22)17-11)18-15(23)9-3-1-2-8(4-7-12(20)21)13(9)16(18)24;1-9(2)21(19,20)13-6-4-3-5-10(13)7-12-11(15)8-17-14(16)18-12;6-5-11-4-3-10-2-1-8-9-7/h4-11,13,29-31,39H,12,14-28H2,1-3H3,(H,50,57)(H,53,58,59);4-9,22-24H,10-21H2,1-3H3;7-12,19-21H,13-18H2,1-6H3;5-6,11H,7-10,17H2,1-4H3;1-3,10H,4-7H2,(H,20,21)(H,17,19,22);3-6,8-9H,7H2,1-2H3;1-5H2.
What are the key properties of 1-azido-2-[2-(bromomethoxy)ethoxy]ethane;2-[[4-[4-[2-[2-(2-azidoethoxy)ethoxy]ethyl]piperazin-1-yl]-2-methoxyphenyl]methyl]-5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidine;tert-butyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate;tert-butyl 4-[4-[[5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidin-2-yl]methyl]-3-methoxyphenyl]piperazine-1-carboxylate;N-[2-[2-[2-[4-[4-[[5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidin-2-yl]methyl]-3-methoxyphenyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide;2,5-dichloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidine;3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoic acid?
1-azido-2-[2-(bromomethoxy)ethoxy]ethane;2-[[4-[4-[2-[2-(2-azidoethoxy)ethoxy]ethyl]piperazin-1-yl]-2-methoxyphenyl]methyl]-5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidine;tert-butyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate;tert-butyl 4-[4-[[5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidin-2-yl]methyl]-3-methoxyphenyl]piperazine-1-carboxylate;N-[2-[2-[2-[4-[4-[[5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidin-2-yl]methyl]-3-methoxyphenyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide;2,5-dichloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidine;3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoic acid has a molecular weight of 3452.98 g/mol, XLogP of 22.01, 63 rotatable bonds, 5 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-[2-(bromomethoxy)ethoxy]ethane;2-[[4-[4-[2-[2-(2-azidoethoxy)ethoxy]ethyl]piperazin-1-yl]-2-methoxyphenyl]methyl]-5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidine;tert-butyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate;tert-butyl 4-[4-[[5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidin-2-yl]methyl]-3-methoxyphenyl]piperazine-1-carboxylate;N-[2-[2-[2-[4-[4-[[5-chloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidin-2-yl]methyl]-3-methoxyphenyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide;2,5-dichloro-4-[(2-propan-2-ylsulfonylphenyl)methyl]pyrimidine;3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoic acid is sourced from PubChem (CID 167664193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).