(3S,4R)-4-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol;2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione;ethane;(3S)-3-[6-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione)

C228H280N28O29 — CID 161465755

IUPAC(3S,4R)-4-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol;2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione;ethane;(3S)-3-[6-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.COC(OC)C1CCN(c2ccc([C@@H]3c4ccc(O)cc4OC[C@@H]3c3ccccc3)cc2)CC1.O=C1CCC(N2C(=O)c3ccc(N4CCN(CC5CCN(c6ccc([C@@H]7c8ccc(O)cc8OC[C@@H]7c7ccccc7)cc6)CC5)CC4)cc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(N4CCN(CC5CCN(c6ccc([C@@H]7c8ccc(O)cc8OC[C@@H]7c7ccccc7)cc6)CC5)CC4)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(N4CCNCC4)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(N4CCNCC4)ccc3C2=O)C(=O)N1.O=C1CC[C@H](N2Cc3cc(N4CCN(CC5CCN(c6ccc([C@@H]7c8ccc(O)cc8OC[C@@H]7c7ccccc7)cc6)CC5)CC4)ccc3C2=O)C(=O)N1.O=C1CC[C@H](N2Cc3cc(N4CCNCC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C44H45N5O6.2C44H47N5O5.C29H33NO4.3C17H20N4O3.8C2H6/c50-33-11-13-35-39(25-33)55-27-37(29-4-2-1-3-5-29)41(35)30-6-8-31(9-7-30)47-18-16-28(17-19-47)26-46-20-22-48(23-21-46)32-10-12-34-36(24-32)44(54)49(43(34)53)38-14-15-40(51)45-42(38)52;2*50-35-11-13-37-40(25-35)54-28-38(30-4-2-1-3-5-30)42(37)31-6-8-33(9-7-31)47-18-16-29(17-19-47)26-46-20-22-48(23-21-46)34-10-12-36-32(24-34)27-49(44(36)53)39-14-15-41(51)45-43(39)52;1-32-29(33-2)22-14-16-30(17-15-22)23-10-8-21(9-11-23)28-25-13-12-24(31)18-27(25)34-19-26(28)20-6-4-3-5-7-20;3*22-15-4-3-14(16(23)19-15)21-10-11-9-12(1-2-13(11)17(21)24)20-7-5-18-6-8-20;8*1-2/h1-13,24-25,28,37-38,41,50H,14-23,26-27H2,(H,45,51,52);2*1-13,24-25,29,38-39,42,50H,14-23,26-28H2,(H,45,51,52);3-13,18,22,26,28-29,31H,14-17,19H2,1-2H3;3*1-2,9,14,18H,3-8,10H2,(H,19,22,23);8*1-2H3/t37-,38?,41-;38-,39?,42-;38-,39+,42-;26-,28-;14-;;;;;;;;;;/m11110........../s1
InChIKeyWCKHYLPPXCTNGA-VTOIQHIOSA-N
MW3876.91 g/mol
LogP29.46
Rot. Bonds33

About (3S,4R)-4-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol;2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione;ethane;(3S)-3-[6-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione)

(3S,4R)-4-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol;2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione;ethane;(3S)-3-[6-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione) (PubChem CID 161465755) has the molecular formula C228H280N28O29 and a molecular weight of 3876.91 g/mol. Its IUPAC name is (3S,4R)-4-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol;2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione;ethane;(3S)-3-[6-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione).

Molecular Properties

Compound Name(3S,4R)-4-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol;2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione;ethane;(3S)-3-[6-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione)
PubChem CID161465755
Molecular FormulaC228H280N28O29
Molecular Weight3876.91 g/mol
Exact Mass3874.13
IUPAC Name(3S,4R)-4-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol;2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione;ethane;(3S)-3-[6-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.COC(OC)C1CCN(c2ccc([C@@H]3c4ccc(O)cc4OC[C@@H]3c3ccccc3)cc2)CC1.O=C1CCC(N2C(=O)c3ccc(N4CCN(CC5CCN(c6ccc([C@@H]7c8ccc(O)cc8OC[C@@H]7c7ccccc7)cc6)CC5)CC4)cc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(N4CCN(CC5CCN(c6ccc([C@@H]7c8ccc(O)cc8OC[C@@H]7c7ccccc7)cc6)CC5)CC4)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(N4CCNCC4)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(N4CCNCC4)ccc3C2=O)C(=O)N1.O=C1CC[C@H](N2Cc3cc(N4CCN(CC5CCN(c6ccc([C@@H]7c8ccc(O)cc8OC[C@@H]7c7ccccc7)cc6)CC5)CC4)ccc3C2=O)C(=O)N1.O=C1CC[C@H](N2Cc3cc(N4CCNCC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C44H45N5O6.2C44H47N5O5.C29H33NO4.3C17H20N4O3.8C2H6/c50-33-11-13-35-39(25-33)55-27-37(29-4-2-1-3-5-29)41(35)30-6-8-31(9-7-30)47-18-16-28(17-19-47)26-46-20-22-48(23-21-46)32-10-12-34-36(24-32)44(54)49(43(34)53)38-14-15-40(51)45-42(38)52;2*50-35-11-13-37-40(25-35)54-28-38(30-4-2-1-3-5-30)42(37)31-6-8-33(9-7-31)47-18-16-29(17-19-47)26-46-20-22-48(23-21-46)34-10-12-36-32(24-34)27-49(44(36)53)39-14-15-41(51)45-43(39)52;1-32-29(33-2)22-14-16-30(17-15-22)23-10-8-21(9-11-23)28-25-13-12-24(31)18-27(25)34-19-26(28)20-6-4-3-5-7-20;3*22-15-4-3-14(16(23)19-15)21-10-11-9-12(1-2-13(11)17(21)24)20-7-5-18-6-8-20;8*1-2/h1-13,24-25,28,37-38,41,50H,14-23,26-27H2,(H,45,51,52);2*1-13,24-25,29,38-39,42,50H,14-23,26-28H2,(H,45,51,52);3-13,18,22,26,28-29,31H,14-17,19H2,1-2H3;3*1-2,9,14,18H,3-8,10H2,(H,19,22,23);8*1-2H3/t37-,38?,41-;38-,39?,42-;38-,39+,42-;26-,28-;14-;;;;;;;;;;/m11110........../s1
InChIKeyWCKHYLPPXCTNGA-VTOIQHIOSA-N
XLogP29.46
TPSA630.46 Ų
H-Bond Donors13
H-Bond Acceptors45
Rotatable Bonds33
Heavy Atoms285
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003876.91
LogP ≤ 529.46
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1045

Analyze (3S,4R)-4-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol;2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione;ethane;(3S)-3-[6-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione) 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

3-[6-[4-[[1-[4-[(3S)-7-hydroxy-3-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155625220
(3S)-3-[6-[4-[[1-[2-fluoro-4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155172545
(3S)-3-[6-[4-[2-[1-[4-[(3S)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155625225
(3S)-3-[6-[4-[[1-[4-[3-(4-fluoro-3-methoxyphenyl)-7-hydroxy-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155172407
(3S)-3-[6-[4-[[1-[4-[(3S)-3-(4-fluoro-3-methoxyphenyl)-7-hydroxy-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155196669
3-[5-fluoro-6-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155172483
(3S)-3-[6-[4-[[1-[4-[3-(4-fluoro-3-methylphenyl)-7-hydroxy-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155172515
2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[2-fluoro-4-[(3R,4S)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione
CID 155172455
2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione
CID 155172491
(3S)-3-[6-[4-[[1-[2,6-difluoro-4-[7-hydroxy-3-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155172508
(3S)-3-[6-[4-[[1-[2-fluoro-4-[(3S,4R)-3-(4-fluorophenyl)-7-hydroxy-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155196560
(3S)-3-[6-[4-[[1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 172908440

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol;2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione;ethane;(3S)-3-[6-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione)?
The IUPAC name of (3S,4R)-4-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol;2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione;ethane;(3S)-3-[6-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione) (CID 161465755) is (3S,4R)-4-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol;2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione;ethane;(3S)-3-[6-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione).
What is the SMILES notation for (3S,4R)-4-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol;2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione;ethane;(3S)-3-[6-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione)?
The canonical SMILES for (3S,4R)-4-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol;2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione;ethane;(3S)-3-[6-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione) is CC.CC.CC.CC.CC.CC.CC.CC.COC(OC)C1CCN(c2ccc([C@@H]3c4ccc(O)cc4OC[C@@H]3c3ccccc3)cc2)CC1.O=C1CCC(N2C(=O)c3ccc(N4CCN(CC5CCN(c6ccc([C@@H]7c8ccc(O)cc8OC[C@@H]7c7ccccc7)cc6)CC5)CC4)cc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(N4CCN(CC5CCN(c6ccc([C@@H]7c8ccc(O)cc8OC[C@@H]7c7ccccc7)cc6)CC5)CC4)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(N4CCNCC4)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(N4CCNCC4)ccc3C2=O)C(=O)N1.O=C1CC[C@H](N2Cc3cc(N4CCN(CC5CCN(c6ccc([C@@H]7c8ccc(O)cc8OC[C@@H]7c7ccccc7)cc6)CC5)CC4)ccc3C2=O)C(=O)N1.O=C1CC[C@H](N2Cc3cc(N4CCNCC4)ccc3C2=O)C(=O)N1.
What is the InChIKey of (3S,4R)-4-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol;2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione;ethane;(3S)-3-[6-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione)?
The InChIKey is WCKHYLPPXCTNGA-VTOIQHIOSA-N. The full InChI is InChI=1S/C44H45N5O6.2C44H47N5O5.C29H33NO4.3C17H20N4O3.8C2H6/c50-33-11-13-35-39(25-33)55-27-37(29-4-2-1-3-5-29)41(35)30-6-8-31(9-7-30)47-18-16-28(17-19-47)26-46-20-22-48(23-21-46)32-10-12-34-36(24-32)44(54)49(43(34)53)38-14-15-40(51)45-42(38)52;2*50-35-11-13-37-40(25-35)54-28-38(30-4-2-1-3-5-30)42(37)31-6-8-33(9-7-31)47-18-16-29(17-19-47)26-46-20-22-48(23-21-46)34-10-12-36-32(24-34)27-49(44(36)53)39-14-15-41(51)45-43(39)52;1-32-29(33-2)22-14-16-30(17-15-22)23-10-8-21(9-11-23)28-25-13-12-24(31)18-27(25)34-19-26(28)20-6-4-3-5-7-20;3*22-15-4-3-14(16(23)19-15)21-10-11-9-12(1-2-13(11)17(21)24)20-7-5-18-6-8-20;8*1-2/h1-13,24-25,28,37-38,41,50H,14-23,26-27H2,(H,45,51,52);2*1-13,24-25,29,38-39,42,50H,14-23,26-28H2,(H,45,51,52);3-13,18,22,26,28-29,31H,14-17,19H2,1-2H3;3*1-2,9,14,18H,3-8,10H2,(H,19,22,23);8*1-2H3/t37-,38?,41-;38-,39?,42-;38-,39+,42-;26-,28-;14-;;;;;;;;;;/m11110........../s1.
What are the key properties of (3S,4R)-4-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol;2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione;ethane;(3S)-3-[6-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione)?
(3S,4R)-4-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol;2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione;ethane;(3S)-3-[6-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione) has a molecular weight of 3876.91 g/mol, XLogP of 29.46, 33 rotatable bonds, 13 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol;2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione;ethane;(3S)-3-[6-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione) is sourced from PubChem (CID 161465755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).