1-[(1R,2R)-2-amino-2-phenylcyclopropyl]-3-[(1S,2S)-1-hydroxy-4-oxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea;1-(2,4-dimethoxyphenyl)-3-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea;1-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-3-[3-(trifluoromethyl)phenyl]urea

C108H145F3N22O14 — CID 159986244

IUPAC1-[(1R,2R)-2-amino-2-phenylcyclopropyl]-3-[(1S,2S)-1-hydroxy-4-oxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea;1-(2,4-dimethoxyphenyl)-3-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea;1-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCOc1ccc(NC(=O)N[C@@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)c(OC)c1.N[C@@]1(c2ccccc2)C[C@H]1NC(=O)N[C@@H](CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)[C@H](O)N1CCC(N2CCCCC2)CC1.O=C(Nc1cccc(C(F)(F)F)c1)N[C@@H](CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C37H52N8O4.C36H49N7O6.C35H44F3N7O4/c38-37(27-10-3-1-4-11-27)24-32(37)41-35(48)39-31(34(47)44-21-13-28(14-22-44)42-17-7-2-8-18-42)23-33(46)43-19-15-29(16-20-43)45-25-26-9-5-6-12-30(26)40-36(45)49;1-48-28-10-11-30(32(22-28)49-2)37-35(46)38-31(34(45)42-20-12-26(13-21-42)40-16-6-3-7-17-40)23-33(44)41-18-14-27(15-19-41)43-24-25-8-4-5-9-29(25)39-36(43)47;36-35(37,38)25-8-6-9-26(21-25)39-33(48)40-30(32(47)44-19-11-27(12-20-44)42-15-4-1-5-16-42)22-31(46)43-17-13-28(14-18-43)45-23-24-7-2-3-10-29(24)41-34(45)49/h1,3-6,9-12,28-29,31-32,34,47H,2,7-8,13-25,38H2,(H,40,49)(H2,39,41,48);4-5,8-11,22,26-27,31H,3,6-7,12-21,23-24H2,1-2H3,(H,39,47)(H2,37,38,46);2-3,6-10,21,27-28,30H,1,4-5,11-20,22-23H2,(H,41,49)(H2,39,40,48)/t31-,32+,34-,37+;31-;30-/m000/s1
InChIKeyOGJICTVZMRUXDR-HFJRROPMSA-N
MW2032.48 g/mol
LogP12.18
Rot. Bonds25

About 1-[(1R,2R)-2-amino-2-phenylcyclopropyl]-3-[(1S,2S)-1-hydroxy-4-oxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea;1-(2,4-dimethoxyphenyl)-3-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea;1-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-3-[3-(trifluoromethyl)phenyl]urea

1-[(1R,2R)-2-amino-2-phenylcyclopropyl]-3-[(1S,2S)-1-hydroxy-4-oxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea;1-(2,4-dimethoxyphenyl)-3-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea;1-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 159986244) has the molecular formula C108H145F3N22O14 and a molecular weight of 2032.48 g/mol. Its IUPAC name is 1-[(1R,2R)-2-amino-2-phenylcyclopropyl]-3-[(1S,2S)-1-hydroxy-4-oxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea;1-(2,4-dimethoxyphenyl)-3-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea;1-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(1R,2R)-2-amino-2-phenylcyclopropyl]-3-[(1S,2S)-1-hydroxy-4-oxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea;1-(2,4-dimethoxyphenyl)-3-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea;1-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID159986244
Molecular FormulaC108H145F3N22O14
Molecular Weight2032.48 g/mol
Exact Mass2031.13
IUPAC Name1-[(1R,2R)-2-amino-2-phenylcyclopropyl]-3-[(1S,2S)-1-hydroxy-4-oxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea;1-(2,4-dimethoxyphenyl)-3-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea;1-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCOc1ccc(NC(=O)N[C@@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)c(OC)c1.N[C@@]1(c2ccccc2)C[C@H]1NC(=O)N[C@@H](CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)[C@H](O)N1CCC(N2CCCCC2)CC1.O=C(Nc1cccc(C(F)(F)F)c1)N[C@@H](CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C37H52N8O4.C36H49N7O6.C35H44F3N7O4/c38-37(27-10-3-1-4-11-27)24-32(37)41-35(48)39-31(34(47)44-21-13-28(14-22-44)42-17-7-2-8-18-42)23-33(46)43-19-15-29(16-20-43)45-25-26-9-5-6-12-30(26)40-36(45)49;1-48-28-10-11-30(32(22-28)49-2)37-35(46)38-31(34(45)42-20-12-26(13-21-42)40-16-6-3-7-17-40)23-33(44)41-18-14-27(15-19-41)43-24-25-8-4-5-9-29(25)39-36(43)47;36-35(37,38)25-8-6-9-26(21-25)39-33(48)40-30(32(47)44-19-11-27(12-20-44)42-15-4-1-5-16-42)22-31(46)43-17-13-28(14-18-43)45-23-24-7-2-3-10-29(24)41-34(45)49/h1,3-6,9-12,28-29,31-32,34,47H,2,7-8,13-25,38H2,(H,40,49)(H2,39,41,48);4-5,8-11,22,26-27,31H,3,6-7,12-21,23-24H2,1-2H3,(H,39,47)(H2,37,38,46);2-3,6-10,21,27-28,30H,1,4-5,11-20,22-23H2,(H,41,49)(H2,39,40,48)/t31-,32+,34-,37+;31-;30-/m000/s1
InChIKeyOGJICTVZMRUXDR-HFJRROPMSA-N
XLogP12.18
TPSA399.63 Ų
H-Bond Donors11
H-Bond Acceptors19
Rotatable Bonds25
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002032.48
LogP ≤ 512.18
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1019

Analyze 1-[(1R,2R)-2-amino-2-phenylcyclopropyl]-3-[(1S,2S)-1-hydroxy-4-oxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea;1-(2,4-dimethoxyphenyl)-3-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea;1-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-3-[3-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

1-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-3-(1-naphthalen-1-ylethyl)urea;1-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-3-[(1R)-1-phenylethyl]urea;1-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 157203152
1-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-3-(1-naphthalen-1-ylethyl)urea;1-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-3-[(1R)-1-phenylethyl]urea;1-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-3-(2-phenylphenyl)urea;1-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-3-[2-(trifluoromethoxy)phenyl]urea;methane
CID 157509597
1-(2,4-difluorophenyl)-3-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea;1-(2,4-dimethoxyphenyl)-3-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea;1-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-3-[(1R,2S)-2-phenylcyclopropyl]urea;1-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-3-[3-(trifluoromethyl)phenyl]urea;methane
CID 161191390
1-(2,4-dimethoxyphenyl)-3-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea
CID 58864309

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-amino-2-phenylcyclopropyl]-3-[(1S,2S)-1-hydroxy-4-oxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea;1-(2,4-dimethoxyphenyl)-3-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea;1-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[(1R,2R)-2-amino-2-phenylcyclopropyl]-3-[(1S,2S)-1-hydroxy-4-oxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea;1-(2,4-dimethoxyphenyl)-3-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea;1-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-3-[3-(trifluoromethyl)phenyl]urea (CID 159986244) is 1-[(1R,2R)-2-amino-2-phenylcyclopropyl]-3-[(1S,2S)-1-hydroxy-4-oxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea;1-(2,4-dimethoxyphenyl)-3-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea;1-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[(1R,2R)-2-amino-2-phenylcyclopropyl]-3-[(1S,2S)-1-hydroxy-4-oxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea;1-(2,4-dimethoxyphenyl)-3-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea;1-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[(1R,2R)-2-amino-2-phenylcyclopropyl]-3-[(1S,2S)-1-hydroxy-4-oxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea;1-(2,4-dimethoxyphenyl)-3-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea;1-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-3-[3-(trifluoromethyl)phenyl]urea is COc1ccc(NC(=O)N[C@@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)c(OC)c1.N[C@@]1(c2ccccc2)C[C@H]1NC(=O)N[C@@H](CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)[C@H](O)N1CCC(N2CCCCC2)CC1.O=C(Nc1cccc(C(F)(F)F)c1)N[C@@H](CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 1-[(1R,2R)-2-amino-2-phenylcyclopropyl]-3-[(1S,2S)-1-hydroxy-4-oxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea;1-(2,4-dimethoxyphenyl)-3-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea;1-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is OGJICTVZMRUXDR-HFJRROPMSA-N. The full InChI is InChI=1S/C37H52N8O4.C36H49N7O6.C35H44F3N7O4/c38-37(27-10-3-1-4-11-27)24-32(37)41-35(48)39-31(34(47)44-21-13-28(14-22-44)42-17-7-2-8-18-42)23-33(46)43-19-15-29(16-20-43)45-25-26-9-5-6-12-30(26)40-36(45)49;1-48-28-10-11-30(32(22-28)49-2)37-35(46)38-31(34(45)42-20-12-26(13-21-42)40-16-6-3-7-17-40)23-33(44)41-18-14-27(15-19-41)43-24-25-8-4-5-9-29(25)39-36(43)47;36-35(37,38)25-8-6-9-26(21-25)39-33(48)40-30(32(47)44-19-11-27(12-20-44)42-15-4-1-5-16-42)22-31(46)43-17-13-28(14-18-43)45-23-24-7-2-3-10-29(24)41-34(45)49/h1,3-6,9-12,28-29,31-32,34,47H,2,7-8,13-25,38H2,(H,40,49)(H2,39,41,48);4-5,8-11,22,26-27,31H,3,6-7,12-21,23-24H2,1-2H3,(H,39,47)(H2,37,38,46);2-3,6-10,21,27-28,30H,1,4-5,11-20,22-23H2,(H,41,49)(H2,39,40,48)/t31-,32+,34-,37+;31-;30-/m000/s1.
What are the key properties of 1-[(1R,2R)-2-amino-2-phenylcyclopropyl]-3-[(1S,2S)-1-hydroxy-4-oxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea;1-(2,4-dimethoxyphenyl)-3-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea;1-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[(1R,2R)-2-amino-2-phenylcyclopropyl]-3-[(1S,2S)-1-hydroxy-4-oxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea;1-(2,4-dimethoxyphenyl)-3-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea;1-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 2032.48 g/mol, XLogP of 12.18, 25 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-amino-2-phenylcyclopropyl]-3-[(1S,2S)-1-hydroxy-4-oxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea;1-(2,4-dimethoxyphenyl)-3-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]urea;1-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 159986244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).