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PDB Info pages Status search Chemie search: 7222 results BIRD

H8W

H8W
Name:	3-[4-[(6~{R})-7-(2-methylpropyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]phenyl]propanoic acid
Formula:	C23 H27 N3 O2
SMILES:	CC(C)CN1CCc2c(ccc3[nH]ncc23)[CH]1c4ccc(CCC(O)=O)cc4
InChi:	InChI=1S/C23H27N3O2/c1-15(2)14-26-12-11-18-19(8-9-21-20(18)13-24-25-21)23(26)17-6-3-16(4-7-17)5-10-22(27)28/h3-4,6-9,13,15,23H,5,10-12,14H2,1-2H3,(H,24,25)(H,27,28)/t23-/m1/s1
Definition date:	2018-11-27
Last modified:	2019-01-18
Release date:	2019-01-23
Identifier:	3-[4-[(6~{R})-7-(2-methylpropyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]phenyl]propanoic acid

JBA

JBA
Name:	(2R)-3-{(5S)-3-[4-(cyclopropylethynyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)propanamide
Formula:	C19 H22 N2 O6 S
SMILES:	O=S(=O)(C)C(C)(CC3OC(N(c1ccc(cc1)C#CC2CC2)C3)=O)C(NO)=O
InChi:	InChI=1S/C19H22N2O6S/c1-19(17(22)20-24,28(2,25)26)11-16-12-21(18(23)27-16)15-9-7-14(8-10-15)6-5-13-3-4-13/h7-10,13,16,24H,3-4,11-12H2,1-2H3,(H,20,22)/t16-,19+/m0/s1
Definition date:	2018-08-28
Last modified:	2019-01-18
Release date:	2019-01-23
Identifier:	(2R)-3-{(5S)-3-[4-(cyclopropylethynyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)propanamide

FK2

FK2
Name:	3-oxidanylidenepropanoic acid
Formula:	C3 H4 O3
SMILES:	OC(=O)CC=O
InChi:	InChI=1S/C3H4O3/c4-2-1-3(5)6/h2H,1H2,(H,5,6)
Definition date:	2018-07-14
Last modified:	2019-01-18
Release date:	2019-01-23
Identifier:	3-oxidanylidenepropanoic acid

KKM

KKM
Name:	7-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
Formula:	C16 H16 N4 O3
SMILES:	c1ccccc1c3cc(O)n2c(c(cn2)C(NC(CO)C)=O)n3
InChi:	InChI=1S/C16H16N4O3/c1-10(9-21)18-16(23)12-8-17-20-14(22)7-13(19-15(12)20)11-5-3-2-4-6-11/h2-8,10,21-22H,9H2,1H3,(H,18,23)/t10-/m0/s1
Definition date:	2018-12-27
Last modified:	2019-01-18
Release date:	2019-01-23
Identifier:	7-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

YY5

YY5
Name:	3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-[(propan-2-yl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
Formula:	C27 H35 Cl2 N7 O4
SMILES:	COc1cc(OC)c(Cl)c(c1Cl)N2C(N(c3c(C2)cnc(NC(C)C)n3)C4CCN(C4)C([C@H]=CCN(C)C)=O)=O
InChi:	InChI=1S/C27H35Cl2N7O4/c1-16(2)31-26-30-13-17-14-35(24-22(28)19(39-5)12-20(40-6)23(24)29)27(38)36(25(17)32-26)18-9-11-34(15-18)21(37)8-7-10-33(3)4/h7-8,12-13,16,18H,9-11,14-15H2,1-6H3,(H,30,31,32)/b8-7+/t18-/m0/s1
Definition date:	2017-02-03
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-[(propan-2-yl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one

GAW

GAW
Name:	2-[3,5-bis(trifluoromethyl)phenyl]-~{N},2-dimethyl-~{N}-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide
Formula:	C30 H32 F6 N4 O
SMILES:	CN1CCN(CC1)c2cc(c(cn2)N(C)C(=O)C(C)(C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c4ccccc4C
InChi:	InChI=1S/C30H32F6N4O/c1-19-8-6-7-9-23(19)24-17-26(40-12-10-38(4)11-13-40)37-18-25(24)39(5)27(41)28(2,3)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36/h6-9,14-18H,10-13H2,1-5H3
Definition date:	2018-09-11
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	2-[3,5-bis(trifluoromethyl)phenyl]-~{N},2-dimethyl-~{N}-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide

TNQ

TNQ
Name:	6-[(carboxymethyl)amino]-7-hydroxy-L-tryptophan
Formula:	C13 H15 N3 O5
SMILES:	NC(C(=O)O)Cc1cnc2c1ccc(c2O)NCC(=O)O
InChi:	InChI=1S/C13H15N3O5/c14-8(13(20)21)3-6-4-16-11-7(6)1-2-9(12(11)19)15-5-10(17)18/h1-2,4,8,15-16,19H,3,5,14H2,(H,17,18)(H,20,21)/t8-/m0/s1
Definition date:	2018-08-16
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	6-[(carboxymethyl)amino]-7-hydroxy-L-tryptophan

96Z

96Z
Name:	(2~{S})-2-azanyl-3-(2,6-dihydroazulen-1-yl)propanoic acid
Formula:	C13 H15 N O2
SMILES:	N[CH](CC1=C2C=CCC=CC2=CC1)C(O)=O
InChi:	InChI=1S/C13H15NO2/c14-12(13(15)16)8-10-7-6-9-4-2-1-3-5-11(9)10/h2-6,12H,1,7-8,14H2,(H,15,16)/t12-/m0/s1
Definition date:	2017-04-26
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	(2~{S})-2-azanyl-3-(2,6-dihydroazulen-1-yl)propanoic acid

9C3

9C3
Name:	9-{4-[(propan-2-yl)oxy]phenyl}-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione
Formula:	C16 H18 N2 O3 S
SMILES:	c3cc(C1=CC=CN2C1=NS(CC2)(=O)=O)ccc3OC(C)C
InChi:	InChI=1S/C16H18N2O3S/c1-12(2)21-14-7-5-13(6-8-14)15-4-3-9-18-10-11-22(19,20)17-16(15)18/h3-9,12H,10-11H2,1-2H3
Definition date:	2018-03-09
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	9-{4-[(propan-2-yl)oxy]phenyl}-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione

JYJ

JYJ
Name:	{4-[1-(3-chlorophenyl)cyclopropane-1-carbonyl]piperazin-1-yl}(thiophen-3-yl)methanone
Formula:	C19 H19 Cl N2 O2 S
SMILES:	C1C(C1)(C(N2CCN(CC2)C(=O)c3ccsc3)=O)c4cccc(c4)Cl
InChi:	InChI=1S/C19H19ClN2O2S/c20-16-3-1-2-15(12-16)19(5-6-19)18(24)22-9-7-21(8-10-22)17(23)14-4-11-25-13-14/h1-4,11-13H,5-10H2
Definition date:	2018-10-22
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	{4-[1-(3-chlorophenyl)cyclopropane-1-carbonyl]piperazin-1-yl}(thiophen-3-yl)methanone

FW5

FW5
Name:	(2~{S})-3-methoxypropane-1,2-diol
Formula:	C4 H10 O3
SMILES:	COC[CH](O)CO
InChi:	InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1
Definition date:	2018-08-02
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	(2~{S})-3-methoxypropane-1,2-diol

KJJ

KJJ
Name:	(2~{S})-2-[4-(8-fluoranyl-5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)-2-methyl-6-[[(1~{S},2~{R})-2-phenylcyclopropyl]methyl]-7,8-dihydro-5~{H}-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
Formula:	C35 H41 F N2 O4
SMILES:	Cc1nc2CCN(C[CH]3C[CH]3c4ccccc4)Cc2c(c5cc(F)c6OCCCc6c5C)c1[CH](OC(C)(C)C)C(O)=O
InChi:	InChI=1S/C35H41FN2O4/c1-20-24-12-9-15-41-32(24)28(36)17-25(20)31-27-19-38(18-23-16-26(23)22-10-7-6-8-11-22)14-13-29(27)37-21(2)30(31)33(34(39)40)42-35(3,4)5/h6-8,10-11,17,23,26,33H,9,12-16,18-19H2,1-5H3,(H,39,40)/t23-,26+,33+/m1/s1
Definition date:	2018-12-14
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	(2~{S})-2-[4-(8-fluoranyl-5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)-2-methyl-6-[[(1~{S},2~{R})-2-phenylcyclopropyl]methyl]-7,8-dihydro-5~{H}-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid

H98

H98
Name:	~{N}-[5-[(1~{R})-2-[[(2~{R})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide
Formula:	C19 H24 N2 O4
SMILES:	COc1ccc(C[CH](C)NC[CH](O)c2ccc(O)c(NC=O)c2)cc1
InChi:	InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1
Definition date:	2018-11-30
Last modified:	2019-01-04
Release date:	2019-01-09
Identifier:	~{N}-[5-[(1~{R})-2-[[(2~{R})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide

93S

93S
Name:	N,N'-{oxybis[(propane-3,1-diyl)carbamoyl]}bis(3-chlorobenzene-1-sulfonamide)
Formula:	C20 H24 Cl2 N4 O7 S2
SMILES:	C(=O)(NS(c1cc(Cl)ccc1)(=O)=O)NCCCOCCCNC(=O)NS(c2cc(Cl)ccc2)(=O)=O
InChi:	InChI=1S/C20H24Cl2N4O7S2/c21-15-5-1-7-17(13-15)34(29,30)25-19(27)23-9-3-11-33-12-4-10-24-20(28)26-35(31,32)18-8-2-6-16(22)14-18/h1-2,5-8,13-14H,3-4,9-12H2,(H2,23,25,27)(H2,24,26,28)
Definition date:	2017-04-03
Last modified:	2019-01-04
Release date:	2019-01-09
Identifier:	N,N'-{oxybis[(propane-3,1-diyl)carbamoyl]}bis(3-chlorobenzene-1-sulfonamide)

H3H

H3H
Name:	5-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxyphenyl)furo[3,2-b]pyridine
Formula:	C20 H19 N3 O2
SMILES:	CC(C)Oc1cccc(c1)c2coc3ccc(nc23)c4cnn(C)c4
InChi:	InChI=1S/C20H19N3O2/c1-13(2)25-16-6-4-5-14(9-16)17-12-24-19-8-7-18(22-20(17)19)15-10-21-23(3)11-15/h4-13H,1-3H3
Definition date:	2018-11-14
Last modified:	2019-01-04
Release date:	2019-01-09
Identifier:	5-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxyphenyl)furo[3,2-b]pyridine

9J0

9J0
Name:	3-methyl-4-{4-[4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-3-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl}benzamide
Formula:	C24 H24 N8 O
SMILES:	O=C(N)c1cc(C)c(cc1)n2nc(C(C)C)c3c2nccc3n4cnc(c4)c5cnn(c5)C
InChi:	InChI=1S/C24H24N8O/c1-14(2)22-21-20(31-12-18(27-13-31)17-10-28-30(4)11-17)7-8-26-24(21)32(29-22)19-6-5-16(23(25)33)9-15(19)3/h5-14H,1-4H3,(H2,25,33)
Definition date:	2018-05-02
Last modified:	2018-12-28
Release date:	2019-01-02
Identifier:	3-methyl-4-{4-[4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-3-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl}benzamide

IEP

IEP
Name:	[(2~{S})-1-octadecanoyloxy-3-[oxidanyl-[(1~{R},2~{R},3~{S},4~{S},5~{S},6~{S})-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] icosa-5,8,11,14-tetraenoate
Formula:	C47 H85 O19 P3
SMILES:	CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC
InChi:	InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17,19,22,24,28,30,39,42-47,50-52H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11?,19-17+,24-22+,30-28+/t39-,42+,43-,44-,45+,46-,47-/m0/s1
Definition date:	2018-04-19
Last modified:	2018-12-28
Release date:	2019-01-02
Identifier:	[(2~{S})-1-octadecanoyloxy-3-[oxidanyl-[(1~{R},2~{R},3~{S},4~{S},5~{S},6~{S})-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] icosa-5,8,11,14-tetraenoate

F44

F44
Name:	2,2'-(propane-1,3-diyl)dipyridine
Formula:	C13 H14 N2
SMILES:	c1cccnc1CCCc2ccccn2
InChi:	InChI=1S/C13H14N2/c1-3-10-14-12(6-1)8-5-9-13-7-2-4-11-15-13/h1-4,6-7,10-11H,5,8-9H2
Definition date:	2018-02-27
Last modified:	2018-12-28
Release date:	2019-01-02
Identifier:	2,2'-(propane-1,3-diyl)dipyridine

F7N

F7N
Name:	[(3~{S},4~{S})-3-methoxyoxan-4-yl]-[(1~{R},3~{S})-3-propan-2-yl-3-[[3-(trifluoromethyl)-7,8-dihydro-5~{H}-1,6-naphthyridin-6-yl]carbonyl]cyclopentyl]azanium
Formula:	C24 H35 F3 N3 O3
SMILES:	CO[CH]1COCC[CH]1[NH2+][CH]2CC[C](C2)(C(C)C)C(=O)N3CCc4ncc(cc4C3)C(F)(F)F
InChi:	InChI=1S/C24H34F3N3O3/c1-15(2)23(7-4-18(11-23)29-20-6-9-33-14-21(20)32-3)22(31)30-8-5-19-16(13-30)10-17(12-28-19)24(25,26)27/h10,12,15,18,20-21,29H,4-9,11,13-14H2,1-3H3/p+1/t18-,20+,21-,23+/m1/s1
Definition date:	2018-06-07
Last modified:	2018-12-28
Release date:	2019-01-02
Identifier:	[(3~{S},4~{S})-3-methoxyoxan-4-yl]-[(1~{R},3~{S})-3-propan-2-yl-3-[[3-(trifluoromethyl)-7,8-dihydro-5~{H}-1,6-naphthyridin-6-yl]carbonyl]cyclopentyl]azanium

GFZ

GFZ
Name:	4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-phenyl-benzamide
Formula:	C29 H30 N2 O3
SMILES:	CC(C)N1CCC2(CC1)CC(=O)c3cc(ccc3O2)c4ccc(cc4)C(=O)Nc5ccccc5
InChi:	InChI=1S/C29H30N2O3/c1-20(2)31-16-14-29(15-17-31)19-26(32)25-18-23(12-13-27(25)34-29)21-8-10-22(11-9-21)28(33)30-24-6-4-3-5-7-24/h3-13,18,20H,14-17,19H2,1-2H3,(H,30,33)
Definition date:	2018-09-17
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-phenyl-benzamide

GH8

GH8
Name:	4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-(phenylmethyl)benzamide
Formula:	C30 H32 N2 O3
SMILES:	CC(C)N1CCC2(CC1)CC(=O)c3cc(ccc3O2)c4ccc(cc4)C(=O)NCc5ccccc5
InChi:	InChI=1S/C30H32N2O3/c1-21(2)32-16-14-30(15-17-32)19-27(33)26-18-25(12-13-28(26)35-30)23-8-10-24(11-9-23)29(34)31-20-22-6-4-3-5-7-22/h3-13,18,21H,14-17,19-20H2,1-2H3,(H,31,34)
Definition date:	2018-09-17
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-(phenylmethyl)benzamide

J0Y

J0Y
Name:	(2R)-2,3,3,3-tetrafluoro-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]propanamide
Formula:	C17 H11 F7 N2 O3
SMILES:	FC(F)(F)C(F)C(=O)NC(C(=O)NO)c1ccc(cc1)c2cc(F)c(c(c2)F)F
InChi:	InChI=1S/C17H11F7N2O3/c18-10-5-9(6-11(19)12(10)20)7-1-3-8(4-2-7)13(15(27)26-29)25-16(28)14(21)17(22,23)24/h1-6,13-14,29H,(H,25,28)(H,26,27)/t13-,14-/m1/s1
Definition date:	2018-08-03
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	(2R)-2,3,3,3-tetrafluoro-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]propanamide

90C

90C
Name:	4-[5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol
Formula:	C30 H36 N2 O2
SMILES:	CC(C)N1CCN(CC1)c2ccc(cc2)C(c3ccc(O)cc3)=C(CCCO)c4ccccc4
InChi:	InChI=1S/C30H36N2O2/c1-23(2)31-18-20-32(21-19-31)27-14-10-25(11-15-27)30(26-12-16-28(34)17-13-26)29(9-6-22-33)24-7-4-3-5-8-24/h3-5,7-8,10-17,23,33-34H,6,9,18-22H2,1-2H3/b30-29+
Definition date:	2017-11-16
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	4-[5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol

2VN

2VN
Name:	2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid
Formula:	C29 H46 N2 O3 S
SMILES:	O=C(NC1CCCCC1)N(CCc2ccc(SC(C(=O)O)(C)C)cc2)CCCCC3CCCCC3
InChi:	InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33)
Definition date:	2014-02-26
Last modified:	2018-12-21
Release date:	2018-12-26
Identifier:	2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid

HJG

HJG
Name:	2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol
Formula:	C18 H18 Cl N3 O
SMILES:	c4cc(C3(c2n1cccc(C(C)(C)O)c1nn2)CC3)ccc4Cl
InChi:	InChI=1S/C18H18ClN3O/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12/h3-8,11,23H,9-10H2,1-2H3
Definition date:	2018-07-05
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol

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