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PDB Info pages Status search Chemie search: 43993 results BIRD

A1AIY

A1AIY
Name:	(8R)-8-[4-(trifluoromethyl)phenyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-5,8-dihydro-1,7-naphthyridine-7(6H)-carboxamide
Formula:	C19 H17 F6 N3 O
SMILES:	FC(F)(F)c1ccc(cc1)C1c2ncccc2CCN1C(=O)NC(C)C(F)(F)F
InChi:	InChI=1S/C19H17F6N3O/c1-11(18(20,21)22)27-17(29)28-10-8-12-3-2-9-26-15(12)16(28)13-4-6-14(7-5-13)19(23,24)25/h2-7,9,11,16H,8,10H2,1H3,(H,27,29)/t11-,16+/m0/s1
Definition date:	2024-03-26
Last modified:	2024-08-16
Release date:	2024-08-21
Identifier:	(8R)-8-[4-(trifluoromethyl)phenyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-5,8-dihydro-1,7-naphthyridine-7(6H)-carboxamide

A1ATS

A1ATS
Name:	N-(2,5-difluoro-4-{[(1s,3S)-3-(1-methyl-1H-pyrazol-3-yl)cyclobutyl][(8R)-pyrazolo[1,5-a]pyrazin-4-yl]amino}phenyl)-2-(5-fluoropyridin-2-yl)-3-oxo-2,3-dihydropyridazine-4-carboxamide
Formula:	C30 H23 F3 N10 O2
SMILES:	Cn1ccc(n1)C1CC(C1)N(c1nccn2nccc21)c1cc(F)c(cc1F)NC(=O)C1=CC=NN(c2ncc(F)cc2)C1=O
InChi:	InChI=1S/C30H23F3N10O2/c1-40-10-6-23(39-40)17-12-19(13-17)42(28-25-5-8-36-41(25)11-9-34-28)26-15-21(32)24(14-22(26)33)38-29(44)20-4-7-37-43(30(20)45)27-3-2-18(31)16-35-27/h2-11,14-17,19H,12-13H2,1H3,(H,38,44)/t17-,19?
Definition date:	2024-05-30
Last modified:	2024-08-16
Release date:	2024-08-21
Identifier:	N-(2,5-difluoro-4-{[(1s,3S)-3-(1-methyl-1H-pyrazol-3-yl)cyclobutyl][(8R)-pyrazolo[1,5-a]pyrazin-4-yl]amino}phenyl)-2-(5-fluoropyridin-2-yl)-3-oxo-2,3-dihydropyridazine-4-carboxamide

A1AE7

A1AE7
Name:	(6M)-6-(6-fluoro-1H-indol-3-yl)-1-[2-(piperazin-1-yl)ethyl]-1H-benzotriazole
Formula:	C20 H21 F N6
SMILES:	Fc1cc2[NH]cc(c3ccc4nnn(CCN5CCNCC5)c4c3)c2cc1
InChi:	InChI=1S/C20H21FN6/c21-15-2-3-16-17(13-23-19(16)12-15)14-1-4-18-20(11-14)27(25-24-18)10-9-26-7-5-22-6-8-26/h1-4,11-13,22-23H,5-10H2
Definition date:	2024-02-21
Last modified:	2024-08-16
Release date:	2024-08-21
Identifier:	(6M)-6-(6-fluoro-1H-indol-3-yl)-1-[2-(piperazin-1-yl)ethyl]-1H-benzotriazole

A1AE9

A1AE9
Name:	(S)-1-(6-benzyl-3-(4-(1,2,3,4-tetrahydroquinoline-1-carbonyl)phenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl)ethan-1-one
Formula:	C31 H30 N4 O2
SMILES:	CC(=O)N1Cc2c(cnn2CC1Cc1ccccc1)c1ccc(cc1)C(=O)N1CCCc2ccccc21
InChi:	InChI=1S/C31H30N4O2/c1-22(36)34-21-30-28(19-32-35(30)20-27(34)18-23-8-3-2-4-9-23)24-13-15-26(16-14-24)31(37)33-17-7-11-25-10-5-6-12-29(25)33/h2-6,8-10,12-16,19,27H,7,11,17-18,20-21H2,1H3/t27-/m0/s1
Synonyms:	1-[(6S,8R)-6-benzyl-3-[4-(3,4-dihydroquinoline-1(2H)-carbonyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]ethan-1-one
Definition date:	2024-02-22
Last modified:	2024-08-16
Release date:	2024-08-21
Identifier:	1-[(6S,8R)-6-benzyl-3-[4-(3,4-dihydroquinoline-1(2H)-carbonyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]ethan-1-one

A1AEY

A1AEY
Name:	(6M)-1-[(imidazolidin-1-yl)methyl]-6-(1H-indol-3-yl)-1H-benzotriazole
Formula:	C18 H18 N6
SMILES:	c1cc(cc2c1nnn2CN1CCNC1)c1c[NH]c2ccccc21
InChi:	InChI=1S/C18H18N6/c1-2-4-16-14(3-1)15(10-20-16)13-5-6-17-18(9-13)24(22-21-17)12-23-8-7-19-11-23/h1-6,9-10,19-20H,7-8,11-12H2
Definition date:	2024-02-16
Last modified:	2024-08-16
Release date:	2024-08-21
Identifier:	(6M)-1-[(imidazolidin-1-yl)methyl]-6-(1H-indol-3-yl)-1H-benzotriazole

A1AH8

A1AH8
Name:	(5P)-1-[(imidazolidin-1-yl)methyl]-5-(1H-indol-3-yl)-1H-1,2,3-benzotriazole
Formula:	C18 H18 N6
SMILES:	c1c(ccc2c1nnn2CN1CCNC1)c1c[NH]c2ccccc21
InChi:	InChI=1S/C18H18N6/c1-2-4-16-14(3-1)15(10-20-16)13-5-6-18-17(9-13)21-22-24(18)12-23-8-7-19-11-23/h1-6,9-10,19-20H,7-8,11-12H2
Definition date:	2024-03-14
Last modified:	2024-08-16
Release date:	2024-08-21
Identifier:	(5P)-1-[(imidazolidin-1-yl)methyl]-5-(1H-indol-3-yl)-1H-1,2,3-benzotriazole

A1ICG

A1ICG
Name:	~{N}-(4-bromanyl-2-methyl-phenyl)-2-[methyl-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]amino]ethanamide
Formula:	C21 H21 Br N2 O4
SMILES:	CN(CC(=O)Nc1ccc(Br)cc1C)CC2=CC(=O)Oc3c(C)c(O)ccc23
InChi:	InChI=1S/C21H21BrN2O4/c1-12-8-15(22)4-6-17(12)23-19(26)11-24(3)10-14-9-20(27)28-21-13(2)18(25)7-5-16(14)21/h4-9,25H,10-11H2,1-3H3,(H,23,26)
Definition date:	2024-05-23
Last modified:	2024-08-16
Release date:	2024-08-21
Identifier:	~{N}-(4-bromanyl-2-methyl-phenyl)-2-[methyl-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]amino]ethanamide

HXI

HXI
Name:	(1R,3S,5Z)-4-methylidene-5-[(E)-3-[3-[7,7,7-tris(fluoranyl)-6-oxidanyl-6-(trifluoromethyl)hept-3-ynyl]phenyl]but-2-enylidene]cyclohexane-1,3-diol
Formula:	C25 H26 F6 O3
SMILES:	CC(=CC=C1C[CH](O)C[CH](O)C1=C)c2cccc(CCC#CCC(O)(C(F)(F)F)C(F)(F)F)c2
InChi:	InChI=1S/C25H26F6O3/c1-16(10-11-20-14-21(32)15-22(33)17(20)2)19-9-6-8-18(13-19)7-4-3-5-12-23(34,24(26,27)28)25(29,30)31/h6,8-11,13,21-22,32-34H,2,4,7,12,14-15H2,1H3/b16-10+,20-11-/t21-,22+/m1/s1
Definition date:	2024-07-31
Last modified:	2024-08-16
Release date:	2024-08-21
Identifier:	(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-[7,7,7-tris(fluoranyl)-6-oxidanyl-6-(trifluoromethyl)hept-3-ynyl]phenyl]but-2-enylidene]cyclohexane-1,3-diol

ZTR

ZTR
Name:	[2-(aminomethyl)phenyl]acetic acid
Formula:	C9 H11 N O2
SMILES:	NCc1ccccc1CC(=O)O
InChi:	InChI=1S/C9H11NO2/c10-6-8-4-2-1-3-7(8)5-9(11)12/h1-4H,5-6,10H2,(H,11,12)
Definition date:	2024-03-05
Last modified:	2024-08-15
Identifier:	[2-(aminomethyl)phenyl]acetic acid

UIY

UIY
Name:	1-[4-[2-[[5-(ethoxymethyl)-2-methyl-phenyl]amino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one
Formula:	C22 H24 N4 O3
SMILES:	CCOCc1ccc(C)c(Nc2oc(cn2)c3ccc(cc3)N4CCNC4=O)c1
InChi:	InChI=1S/C22H24N4O3/c1-3-28-14-16-5-4-15(2)19(12-16)25-21-24-13-20(29-21)17-6-8-18(9-7-17)26-11-10-23-22(26)27/h4-9,12-13H,3,10-11,14H2,1-2H3,(H,23,27)(H,24,25)
Definition date:	2023-02-06
Last modified:	2024-08-09
Release date:	2024-08-14
Identifier:	1-[4-[2-[[5-(ethoxymethyl)-2-methyl-phenyl]amino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one

UOO

UOO
Name:	(3R,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4,5-trihydroxypentyl [(2S,3S,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)
Formula:	C15 H24 Br N5 O14 P2
SMILES:	OC1C(COP(=O)(O)OP(=O)(O)OCCC(O)C(O)C(O)n2c3ncnc(N)c3nc2Br)OC(O)C1O
InChi:	InChI=1S/C15H24BrN5O14P2/c16-15-20-7-11(17)18-4-19-12(7)21(15)13(26)8(23)5(22)1-2-32-36(28,29)35-37(30,31)33-3-6-9(24)10(25)14(27)34-6/h4-6,8-10,13-14,22-27H,1-3H2,(H,28,29)(H,30,31)(H2,17,18,19)/t5-,6+,8-,9-,10+,13-,14-/m1/s1
Definition date:	2022-08-23
Last modified:	2024-08-09
Release date:	2024-08-14
Identifier:	(3R,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4,5-trihydroxypentyl [(2S,3S,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)

UOZ

UOZ
Name:	[(2R,3S,5R)-5-(6-amino-8-phenyl-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)
Formula:	C21 H27 N5 O13 P2
SMILES:	OC1C(COP(=O)(O)OP(=O)(O)OCC2OC(CC2O)n2c3ncnc(N)c3nc2c2ccccc2)OC(O)C1O
InChi:	InChI=1S/C21H27N5O13P2/c22-18-15-20(24-9-23-18)26(19(25-15)10-4-2-1-3-5-10)14-6-11(27)12(37-14)7-35-40(31,32)39-41(33,34)36-8-13-16(28)17(29)21(30)38-13/h1-5,9,11-14,16-17,21,27-30H,6-8H2,(H,31,32)(H,33,34)(H2,22,23,24)/t11-,12+,13+,14+,16+,17-,21+/m0/s1
Definition date:	2022-08-23
Last modified:	2024-08-09
Release date:	2024-08-14
Identifier:	[(2R,3S,5R)-5-(6-amino-8-phenyl-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)

XD8

XD8
Name:	(5~{S})-1'-[6-azanyl-5-(2-azanyl-3-chloranyl-pyridin-4-yl)sulfanyl-pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
Formula:	C21 H23 Cl N8 S
SMILES:	N[CH]1c2cccnc2CC13CCN(CC3)c4cnc(Sc5ccnc(N)c5Cl)c(N)n4
InChi:	InChI=1S/C21H23ClN8S/c22-16-14(3-7-27-18(16)24)31-20-19(25)29-15(11-28-20)30-8-4-21(5-9-30)10-13-12(17(21)23)2-1-6-26-13/h1-3,6-7,11,17H,4-5,8-10,23H2,(H2,24,27)(H2,25,29)/t17-/m1/s1
Definition date:	2023-11-02
Last modified:	2024-08-09
Release date:	2024-08-14
Identifier:	(5~{S})-1'-[6-azanyl-5-(2-azanyl-3-chloranyl-pyridin-4-yl)sulfanyl-pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine

JCI

JCI
Name:	(3~{R},5~{R})-3-[2-[[ethynyl(methyl)amino]methyl]-1,3-thiazol-4-yl]-5-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
Formula:	C19 H18 N6 O4 S
SMILES:	CN(Cc1scc(n1)[C]2(O)CN[CH](C2)c3onc(n3)c4ccccc4[N](=O)=O)C#C
InChi:	InChI=1S/C19H18N6O4S/c1-3-24(2)9-16-21-15(10-30-16)19(26)8-13(20-11-19)18-22-17(23-29-18)12-6-4-5-7-14(12)25(27)28/h1,4-7,10,13,20,26H,8-9,11H2,2H3/t13-,19-/m1/s1
Definition date:	2023-08-07
Last modified:	2024-08-09
Release date:	2024-08-14
Identifier:	(3~{R},5~{R})-3-[2-[[ethynyl(methyl)amino]methyl]-1,3-thiazol-4-yl]-5-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

VNZ

VNZ
Name:	Ivabradine
Formula:	C27 H36 N2 O5
SMILES:	COc1cc2CCN(CCCN(C)C[CH]3Cc4cc(OC)c(OC)cc34)C(=O)Cc2cc1OC
InChi:	InChI=1S/C27H36N2O5/c1-28(17-21-11-20-14-25(33-4)26(34-5)16-22(20)21)8-6-9-29-10-7-18-12-23(31-2)24(32-3)13-19(18)15-27(29)30/h12-14,16,21H,6-11,15,17H2,1-5H3/t21-/m1/s1
Synonyms:	3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
Definition date:	2023-03-20
Last modified:	2024-08-09
Release date:	2024-08-14
Identifier:	3-[3-[[(7~{S})-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1~{H}-3-benzazepin-4-one

JNR

JNR
Name:	(2~{R})-2-benzamido-5-carbamimidamido-pentanoic acid
Formula:	C13 H18 N4 O3
SMILES:	NC(=N)NCCC[CH](NC(=O)c1ccccc1)C(O)=O
InChi:	InChI=1S/C13H18N4O3/c14-13(15)16-8-4-7-10(12(19)20)17-11(18)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,17,18)(H,19,20)(H4,14,15,16)/t10-/m1/s1
Definition date:	2022-08-24
Last modified:	2024-08-09
Release date:	2024-08-14
Identifier:	(2~{R})-2-benzamido-5-carbamimidamido-pentanoic acid

JX6

JX6
Name:	N~2~-[(benzyloxy)carbonyl]-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
Formula:	C22 H33 N3 O5
SMILES:	CC(C)(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(CC1CCNC1=O)CO
InChi:	InChI=1S/C22H33N3O5/c1-22(2,3)12-18(25-21(29)30-14-15-7-5-4-6-8-15)20(28)24-17(13-26)11-16-9-10-23-19(16)27/h4-8,16-18,26H,9-14H2,1-3H3,(H,23,27)(H,24,28)(H,25,29)/t16-,17+,18-/m0/s1
Definition date:	2023-08-09
Last modified:	2024-08-09
Release date:	2024-08-14
Identifier:	N~2~-[(benzyloxy)carbonyl]-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide

JY0

JY0
Name:	benzyl [(2S,3S)-3-tert-butoxy-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxobutan-2-yl]carbamate
Formula:	C23 H35 N3 O6
SMILES:	CC(C)(C)OC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC1CCNC1=O)CO
InChi:	InChI=1S/C23H35N3O6/c1-15(32-23(2,3)4)19(26-22(30)31-14-16-8-6-5-7-9-16)21(29)25-18(13-27)12-17-10-11-24-20(17)28/h5-9,15,17-19,27H,10-14H2,1-4H3,(H,24,28)(H,25,29)(H,26,30)/t15-,17-,18-,19-/m0/s1
Definition date:	2023-08-10
Last modified:	2024-08-09
Release date:	2024-08-14
Identifier:	benzyl [(2S,3S)-3-tert-butoxy-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxobutan-2-yl]carbamate

K2X

K2X
Name:	(3-chlorophenyl)methyl [(2S)-3-cyclohexyl-1-({(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate
Formula:	C24 H34 Cl N3 O5 S
SMILES:	Clc1cccc(c1)COC(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCNC1=O)C(O)S
InChi:	InChI=1S/C24H34ClN3O5S/c25-18-8-4-7-16(11-18)14-33-24(32)28-19(12-15-5-2-1-3-6-15)22(30)27-20(23(31)34)13-17-9-10-26-21(17)29/h4,7-8,11,15,17,19-20,23,31,34H,1-3,5-6,9-10,12-14H2,(H,26,29)(H,27,30)(H,28,32)/t17-,19-,20-,23-/m0/s1
Definition date:	2023-08-10
Last modified:	2024-08-09
Release date:	2024-08-14
Identifier:	(3-chlorophenyl)methyl [(2S)-3-cyclohexyl-1-({(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate

KD9

KD9
Name:	3'-O-(4-benzoylbenzoyl)adenosine 5'-(tetrahydrogen triphosphate)
Formula:	C24 H24 N5 O15 P3
SMILES:	O=C(c1ccccc1)c1ccc(cc1)C(=O)OC1C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC(n2cnc3c(N)ncnc32)C1O
InChi:	InChI=1S/C24H24N5O15P3/c25-21-17-22(27-11-26-21)29(12-28-17)23-19(31)20(16(41-23)10-40-46(36,37)44-47(38,39)43-45(33,34)35)42-24(32)15-8-6-14(7-9-15)18(30)13-4-2-1-3-5-13/h1-9,11-12,16,19-20,23,31H,10H2,(H,36,37)(H,38,39)(H2,25,26,27)(H2,33,34,35)/t16-,19-,20-,23-/m1/s1
Definition date:	2023-08-10
Last modified:	2024-08-09
Release date:	2024-08-14
Identifier:	3'-O-(4-benzoylbenzoyl)adenosine 5'-(tetrahydrogen triphosphate)

N60

N60
Name:	2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide
Formula:	C22 H20 F5 N3 O3
SMILES:	CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[CH]1C(=O)Nc2ccccc2c3ccccc13
InChi:	InChI=1S/C22H20F5N3O3/c1-20(2,18(32)28-11-21(23,24)22(25,26)27)19(33)30-16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)29-17(16)31/h3-10,16H,11H2,1-2H3,(H,28,32)(H,29,31)(H,30,33)/t16-/m0/s1
Synonyms:	RO4929097
Definition date:	2023-08-22
Last modified:	2024-08-09
Release date:	2024-08-14
Identifier:	2,2-dimethyl-~{N}-[(7~{S})-6-oxidanylidene-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-~{N}'-[2,2,3,3,3-pentakis(fluoranyl)propyl]propanediamide

N9C

N9C
Name:	4,4,4-tris(fluoranyl)-N-[(2S)-1-[[(7S)-5-(2-hydroxyethyl)-6-oxidanylidene-7H-pyrido[2,3-d][3]benzazepin-7-yl]amino]-1-oxidanylidene-propan-2-yl]butanamide
Formula:	C22 H23 F3 N4 O4
SMILES:	C[CH](NC(=O)CCC(F)(F)F)C(=O)N[CH]1C(=O)N(CCO)c2ncccc2c3ccccc13
InChi:	InChI=1S/C22H23F3N4O4/c1-13(27-17(31)8-9-22(23,24)25)20(32)28-18-15-6-3-2-5-14(15)16-7-4-10-26-19(16)29(11-12-30)21(18)33/h2-7,10,13,18,30H,8-9,11-12H2,1H3,(H,27,31)(H,28,32)/t13-,18-/m0/s1
Synonyms:	Crenigacestat
Definition date:	2023-08-22
Last modified:	2024-08-09
Release date:	2024-08-14
Identifier:	4,4,4-tris(fluoranyl)-~{N}-[(2~{S})-1-[[(7~{S})-5-(2-hydroxyethyl)-6-oxidanylidene-7~{H}-pyrido[2,3-d][3]benzazepin-7-yl]amino]-1-oxidanylidene-propan-2-yl]butanamide

O6U

O6U
Name:	(2S)-2-[[(2S)-6,8-bis(fluoranyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methyl-propan-2-yl]imidazol-4-yl]pentanamide
Formula:	C27 H41 F2 N5 O
SMILES:	CCC[CH](N[CH]1CCc2cc(F)cc(F)c2C1)C(=O)Nc3cn(cn3)C(C)(C)CNCC(C)(C)C
InChi:	InChI=1S/C27H41F2N5O/c1-7-8-23(32-20-10-9-18-11-19(28)12-22(29)21(18)13-20)25(35)33-24-14-34(17-31-24)27(5,6)16-30-15-26(2,3)4/h11-12,14,17,20,23,30,32H,7-10,13,15-16H2,1-6H3,(H,33,35)/t20-,23-/m0/s1
Synonyms:	Nirogacestat
Definition date:	2023-08-23
Last modified:	2024-08-09
Release date:	2024-08-14
Identifier:	(2~{S})-2-[[(2~{S})-6,8-bis(fluoranyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-~{N}-[1-[1-(2,2-dimethylpropylamino)-2-methyl-propan-2-yl]imidazol-4-yl]pentanamide

OL9

OL9
Name:	3-[4-[2,5-bis(fluoranyl)phenyl]-4-(4-chlorophenyl)sulfonyl-cyclohexyl]propanoic acid
Formula:	C21 H21 Cl F2 O4 S
SMILES:	OC(=O)CC[CH]1CC[C](CC1)(c2cc(F)ccc2F)[S](=O)(=O)c3ccc(Cl)cc3
InChi:	InChI=1S/C21H21ClF2O4S/c22-15-2-5-17(6-3-15)29(27,28)21(18-13-16(23)4-7-19(18)24)11-9-14(10-12-21)1-8-20(25)26/h2-7,13-14H,1,8-12H2,(H,25,26)/t14-,21+
Synonyms:	MK-0752
Definition date:	2023-08-23
Last modified:	2024-08-09
Release date:	2024-08-14
Identifier:	3-[4-[2,5-bis(fluoranyl)phenyl]-4-(4-chlorophenyl)sulfonyl-cyclohexyl]propanoic acid

PW6

PW6
Name:	(2E,5E,7Z,9E,11E,13E,15Z,17E,19Z,21E,23E)-24-methyl-25-oxohexacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenoic acid
Formula:	C27 H30 O3
SMILES:	CC(=O)C(C)=CC=CC=CC=CC=CC=CC=CC=CC=CC=CCC=CC(O)=O
InChi:	InChI=1S/C27H30O3/c1-25(26(2)28)23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-27(29)30/h3-19,21-24H,20H2,1-2H3,(H,29,30)/b5-3+,6-4+,9-7-,10-8+,13-11+,14-12-,17-15-,18-16+,21-19+,24-22+,25-23+
Synonyms:	Dehydro laetiporic acid
Definition date:	2023-03-07
Last modified:	2024-08-09
Release date:	2024-08-14
Identifier:	(5~{E},7~{Z},9~{E},11~{E},13~{E},15~{Z},17~{E},19~{Z},21~{E},23~{E})-24-methyl-25-oxidanylidene-hexacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenoic acid

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