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I1F

I1F
Name:	{5-[N-(4-carbamimidoylbenzoyl)-4-nitro-L-phenylalanyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-2-yl}acetic acid
Formula:	C25 H25 N7 O6
SMILES:	N=C(N)c1ccc(cc1)C(=O)NC(Cc1ccc(cc1)[N+]([O-])=O)C(=O)N1Cc2cn(nc2CC1)CC(=O)O
InChi:	InChI=1S/C25H25N7O6/c26-23(27)16-3-5-17(6-4-16)24(35)28-21(11-15-1-7-19(8-2-15)32(37)38)25(36)30-10-9-20-18(12-30)13-31(29-20)14-22(33)34/h1-8,13,21H,9-12,14H2,(H3,26,27)(H,28,35)(H,33,34)/t21-/m0/s1
Definition date:	2022-01-05
Last modified:	2022-08-12
Release date:	2022-08-17
Identifier:	{5-[N-(4-carbamimidoylbenzoyl)-4-nitro-L-phenylalanyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-2-yl}acetic acid

MWI

MWI
Name:	Lotrafiban
Formula:	C23 H32 N4 O4
SMILES:	O=C(c1ccc2NC(CC(=O)O)C(=O)N(C)Cc2c1)N1CCC(CC1)C1CCNCC1
InChi:	InChI=1S/C23H32N4O4/c1-26-14-18-12-17(2-3-19(18)25-20(23(26)31)13-21(28)29)22(30)27-10-6-16(7-11-27)15-4-8-24-9-5-15/h2-3,12,15-16,20,24-25H,4-11,13-14H2,1H3,(H,28,29)/t20-/m0/s1
Synonyms:	[(2S)-7-([4,4'-bipiperidine]-1-carbonyl)-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-yl]acetic acid
Definition date:	2022-03-21
Last modified:	2022-08-12
Release date:	2022-08-17
Identifier:	[(2S)-7-([4,4'-bipiperidine]-1-carbonyl)-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-yl]acetic acid

7OH

7OH
Name:	Fe-Tetra(4-pyridyl)porphyrin
Formula:	C40 H24 Fe N8
SMILES:	[Fe]1N2C3=C(c4ccncc4)C5=NC(=C(c6ccncc6)c7ccc(n17)C(=C8C=CC(=N8)C(=C2C=C3)c9ccncc9)c%10ccncc%10)C=C5
InChi:	InChI=1S/C40H24N8.Fe/c1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25
Definition date:	2021-10-08
Last modified:	2022-08-12
Release date:	2022-08-17

W9V

W9V
Name:	(1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-{[(5Z)-6-{[2-nitro-4-(2H-1,2,3-triazol-2-yl)phenyl]amino}hex-5-en-1-yl]amino}cyclohexane-1,2,3,4-tetrol
Formula:	C21 H32 N6 O7
SMILES:	N(C1CC(C(C(C1O)O)O)(O)CO)CCCCCCNc2c([N+](=O)[O-])cc(cc2)n3nccn3
InChi:	InChI=1S/C21H32N6O7/c28-13-21(32)12-16(18(29)19(30)20(21)31)23-8-4-2-1-3-7-22-15-6-5-14(11-17(15)27(33)34)26-24-9-10-25-26/h5-6,9-11,16,18-20,22-23,28-32H,1-4,7-8,12-13H2/t16-,18-,19+,20-,21-/m0/s1
Definition date:	2020-10-04
Last modified:	2022-08-05
Release date:	2021-09-29
Identifier:	(1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(2H-1,2,3-triazol-2-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol

I2S

I2S
Name:	(7Z)-7-{[(4-chlorophenyl)methyl]imino}-1-(4-methylbenzene-1-sulfonyl)-3,4,5,7-tetrahydropyrrolo[4,3,2-de]quinolin-8(1H)-one
Formula:	C24 H20 Cl N3 O3 S
SMILES:	Cc1ccc(cc1)S(=O)(=O)n1cc2CCNC3=CC(=NCc4ccc(Cl)cc4)C(=O)c1c32
InChi:	InChI=1S/C24H20ClN3O3S/c1-15-2-8-19(9-3-15)32(30,31)28-14-17-10-11-26-20-12-21(24(29)23(28)22(17)20)27-13-16-4-6-18(25)7-5-16/h2-9,12,14,26H,10-11,13H2,1H3/b27-21-
Definition date:	2022-01-07
Last modified:	2022-08-05
Release date:	2022-08-10
Identifier:	(7Z)-7-{[(4-chlorophenyl)methyl]imino}-1-(4-methylbenzene-1-sulfonyl)-3,4,5,7-tetrahydropyrrolo[4,3,2-de]quinolin-8(1H)-one

A7V

A7V
Name:	N-{2-[(2Z)-3-chlorotetradec-2-enamido]ethyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
Formula:	C25 H47 Cl N3 O8 P
SMILES:	O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCNC(=O)/C=C(Cl)CCCCCCCCCCC
InChi:	InChI=1S/C25H47ClN3O8P/c1-4-5-6-7-8-9-10-11-12-13-20(26)18-22(31)28-17-16-27-21(30)14-15-29-24(33)23(32)25(2,3)19-37-38(34,35)36/h18,23,32H,4-17,19H2,1-3H3,(H,27,30)(H,28,31)(H,29,33)(H2,34,35,36)/b20-18-/t23-/m0/s1
Definition date:	2021-11-08
Last modified:	2022-07-29
Release date:	2022-08-03
Identifier:	N-{2-[(2Z)-3-chlorotetradec-2-enamido]ethyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide

I6T

I6T
Name:	(3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde
Formula:	C29 H34 Cl N5 O3
SMILES:	CN1CCCC1COc1nc2CN(CCc2c(n1)N1CCC(C=O)C(O)C1)c1cccc2cccc(Cl)c21
InChi:	InChI=1S/C29H34ClN5O3/c1-33-12-4-7-21(33)18-38-29-31-24-15-34(25-9-3-6-19-5-2-8-23(30)27(19)25)14-11-22(24)28(32-29)35-13-10-20(17-36)26(37)16-35/h2-3,5-6,8-9,17,20-21,26,37H,4,7,10-16,18H2,1H3/t20-,21-,26-/m0/s1
Synonyms:	(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-8-oxa-3-azabicyclo[4.2.0]octan-7-one
Definition date:	2022-01-20
Last modified:	2022-07-29
Release date:	2022-08-03
Identifier:	(3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde

I7H

I7H
Name:	(3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4S,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde
Formula:	C31 H31 Cl F N5 O3
SMILES:	Clc1cccc2cccc(c12)c1ncc2c(nc(nc2N2CCC(C=O)C(O)C2)OCC23CCCN3CCC2)c1F
InChi:	InChI=1S/C31H31ClFN5O3/c32-23-8-2-6-19-5-1-7-21(25(19)23)27-26(33)28-22(15-34-27)29(37-14-9-20(17-39)24(40)16-37)36-30(35-28)41-18-31-10-3-12-38(31)13-4-11-31/h1-2,5-8,15,17,20,24,40H,3-4,9-14,16,18H2/t20-,24-/m0/s1
Synonyms:	(1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4S,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-8-oxa-3-azabicyclo[4.2.0]octan-7-one
Definition date:	2022-01-20
Last modified:	2022-07-29
Release date:	2022-08-03
Identifier:	(3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4S,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde

5Z0

5Z0
Name:	2-[(6S,10R)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
Formula:	C21 H18 Cl N7 O S2
SMILES:	O=C(CC1N=C(c2ccc(Cl)cc2)c2c(C)c(C)sc2n2c(C)nnc21)Nc1nncs1
InChi:	InChI=1S/C21H18ClN7OS2/c1-10-11(2)32-20-17(10)18(13-4-6-14(22)7-5-13)24-15(19-27-26-12(3)29(19)20)8-16(30)25-21-28-23-9-31-21/h4-7,9,15H,8H2,1-3H3,(H,25,28,30)/t15-/m0/s1
Definition date:	2021-07-28
Last modified:	2022-07-29
Release date:	2022-08-03
Identifier:	2-[(6S,10R)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide

5ZQ

5ZQ
Name:	2-[(6S,10S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-[(pyridin-2-yl)methyl]acetamide
Formula:	C25 H23 Cl N6 O S
SMILES:	Clc1ccc(cc1)C1=NC(CC(=O)NCc2ccccn2)c2nnc(C)n2c2sc(C)c(C)c21
InChi:	InChI=1S/C25H23ClN6OS/c1-14-15(2)34-25-22(14)23(17-7-9-18(26)10-8-17)29-20(24-31-30-16(3)32(24)25)12-21(33)28-13-19-6-4-5-11-27-19/h4-11,20H,12-13H2,1-3H3,(H,28,33)/t20-/m0/s1
Definition date:	2021-07-29
Last modified:	2022-07-29
Release date:	2022-08-03
Identifier:	2-[(6S,10S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-[(pyridin-2-yl)methyl]acetamide

61F

61F
Name:	N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-(methanesulfonyl)-3-methylbut-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
Formula:	C39 H36 Cl F8 N7 O5 S2
SMILES:	CS(=O)(=O)Nc1nn(CC(F)(F)F)c2c1c(Cl)ccc2c1ccc(C#CC(C)(C)S(C)(=O)=O)nc1C(Cc1cc(F)cc(F)c1)NC(=O)Cn1nc(c2CCCCc21)C(F)(F)F
InChi:	InChI=1S/C39H36ClF8N7O5S2/c1-37(2,61(3,57)58)14-13-24-9-10-25(26-11-12-28(40)32-34(26)55(20-38(43,44)45)52-36(32)53-62(4,59)60)33(49-24)29(17-21-15-22(41)18-23(42)16-21)50-31(56)19-54-30-8-6-5-7-27(30)35(51-54)39(46,47)48/h9-12,15-16,18,29H,5-8,17,19-20H2,1-4H3,(H,50,56)(H,52,53)/t29-/m0/s1
Definition date:	2021-07-30
Last modified:	2022-07-29
Release date:	2022-08-03
Identifier:	N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-(methanesulfonyl)-3-methylbut-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide

HVC

HVC
Name:	alpha-D-Sorbopyranose
Formula:	C6 H12 O6
SMILES:	OC[C]1(O)OC[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6+/m1/s1
Definition date:	2021-02-05
Last modified:	2022-07-29
Release date:	2022-08-03
Identifier:	(2~{S},3~{R},4~{S},5~{R})-2-(hydroxymethyl)oxane-2,3,4,5-tetrol

OQ6

OQ6
Name:	methyl ~{N}-[4-[1-[(1~{R})-1-[5-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate
Formula:	C28 H25 Cl N8 O3
SMILES:	Clc1cc(c(cc1)n1cnnn1)c1c[n+]([O-])c(cc1)C(CC1CC1)n1cc(cn1)c1ccc(NC(=O)OC)cc1
InChi:	InChI=1S/C28H25ClN8O3/c1-40-28(38)32-23-8-4-19(5-9-23)21-14-31-35(15-21)27(12-18-2-3-18)26-10-6-20(16-37(26)39)24-13-22(29)7-11-25(24)36-17-30-33-34-36/h4-11,13-18,27H,2-3,12H2,1H3,(H,32,38)/t27-/m1/s1
Definition date:	2022-05-12
Last modified:	2022-07-29
Release date:	2022-08-03
Identifier:	methyl (4-{1-[(1R)-1-{(5P)-5-[(2M)-5-chloro-2-(1H-tetrazol-1-yl)phenyl]-1-oxo-1lambda~5~-pyridin-2-yl}-2-cyclopropylethyl]-1H-pyrazol-4-yl}phenyl)carbamate

OQI

OQI
Name:	methyl ~{N}-[4-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate
Formula:	C28 H24 Cl F N8 O3
SMILES:	Fc1c(Cl)ccc(n2cnnn2)c1c1c[n+]([O-])c(cc1)C(CC1CC1)n1cc(cn1)c1ccc(NC(=O)OC)cc1
InChi:	InChI=1S/C28H24ClFN8O3/c1-41-28(39)33-21-7-4-18(5-8-21)20-13-32-36(14-20)25(12-17-2-3-17)23-10-6-19(15-38(23)40)26-24(37-16-31-34-35-37)11-9-22(29)27(26)30/h4-11,13-17,25H,2-3,12H2,1H3,(H,33,39)/t25-/m1/s1
Definition date:	2022-05-13
Last modified:	2022-07-29
Release date:	2022-08-03
Identifier:	methyl (4-{1-[(1R)-1-{(5M)-5-[(6M)-3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl]-1-oxo-1lambda~5~-pyridin-2-yl}-2-cyclopropylethyl]-1H-pyrazol-4-yl}phenyl)carbamate

OQO

OQO
Name:	5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-6-methyl-pyridin-2-amine
Formula:	C26 H23 Cl F N9 O
SMILES:	Fc1c(Cl)ccc(n2cnnn2)c1c1c[n+]([O-])c(cc1)C(CC1CC1)n1cc(cn1)c1ccc(N)nc1C
InChi:	InChI=1S/C26H23ClFN9O/c1-15-19(5-9-24(29)32-15)18-11-31-35(12-18)23(10-16-2-3-16)21-7-4-17(13-37(21)38)25-22(36-14-30-33-34-36)8-6-20(27)26(25)28/h4-9,11-14,16,23H,2-3,10H2,1H3,(H2,29,32)/t23-/m1/s1
Definition date:	2022-05-13
Last modified:	2022-07-29
Release date:	2022-08-03
Identifier:	(5P)-5-(1-{(1R)-1-[(5M)-5-{[1(6)M]-3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl}-1-oxo-1lambda~5~-pyridin-2-yl]-2-cyclopropylethyl}-1H-pyrazol-4-yl)-6-methylpyridin-2-amine

OR0

OR0
Name:	5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-6-fluoranyl-pyridin-2-amine
Formula:	C25 H20 Cl F2 N9 O
SMILES:	Fc1c(Cl)ccc(n2cnnn2)c1c1c[n+]([O-])c(cc1)C(CC1CC1)n1cc(cn1)c1ccc(N)nc1F
InChi:	InChI=1S/C25H20ClF2N9O/c26-18-5-7-20(36-13-30-33-34-36)23(24(18)27)15-3-6-19(37(38)12-15)21(9-14-1-2-14)35-11-16(10-31-35)17-4-8-22(29)32-25(17)28/h3-8,10-14,21H,1-2,9H2,(H2,29,32)/t21-/m1/s1
Definition date:	2022-05-13
Last modified:	2022-07-29
Release date:	2022-08-03
Identifier:	(5M)-5-{1-[(1R)-1-{(5M)-5-[(6M)-3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl]-1-oxo-1lambda~5~-pyridin-2-yl}-2-cyclopropylethyl]-1H-pyrazol-4-yl}-6-fluoropyridin-2-amine

ORF

ORF
Name:	3-chloranyl-4-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-5-fluoranyl-pyridine
Formula:	C25 H18 Cl2 F2 N8 O
SMILES:	Fc1c(Cl)ccc(n2cnnn2)c1c1c[n+]([O-])c(cc1)C(CC1CC1)n1cc(cn1)c1c(F)cncc1Cl
InChi:	InChI=1S/C25H18Cl2F2N8O/c26-17-4-6-21(36-13-31-33-34-36)24(25(17)29)15-3-5-20(37(38)12-15)22(7-14-1-2-14)35-11-16(8-32-35)23-18(27)9-30-10-19(23)28/h3-6,8-14,22H,1-2,7H2/t22-/m1/s1
Definition date:	2022-05-13
Last modified:	2022-07-29
Release date:	2022-08-03
Identifier:	(5M)-2-{(1R)-1-[(4M)-4-(3-chloro-5-fluoropyridin-4-yl)-1H-pyrazol-1-yl]-2-cyclopropylethyl}-5-{[1(6)M]-3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl}-1-oxo-1lambda~5~-pyridine

ORU

ORU
Name:	5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-1,3-thiazole
Formula:	C23 H18 Cl F N8 O S
SMILES:	Fc1c(Cl)ccc(n2cnnn2)c1c1c[n+]([O-])c(cc1)C(CC1CC1)n1ncc(c1)c1cncs1
InChi:	InChI=1S/C23H18ClFN8OS/c24-17-4-6-19(32-12-27-29-30-32)22(23(17)25)15-3-5-18(33(34)11-15)20(7-14-1-2-14)31-10-16(8-28-31)21-9-26-13-35-21/h3-6,8-14,20H,1-2,7H2/t20-/m1/s1
Definition date:	2022-05-13
Last modified:	2022-07-29
Release date:	2022-08-03
Identifier:	(5M)-5-[(6M)-3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl]-2-{(1R)-2-cyclopropyl-1-[(4P)-4-(1,3-thiazol-5-yl)-1H-pyrazol-1-yl]ethyl}-1-oxo-1lambda~5~-pyridine

OSX

OSX
Name:	5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-4-methyl-1,3-thiazole
Formula:	C24 H20 Cl F N8 O S
SMILES:	Cc1ncsc1c1cnn(c1)C(CC1CC1)c1ccc(c[n+]1[O-])c1c(F)c(Cl)ccc1n1cnnn1
InChi:	InChI=1S/C24H20ClFN8OS/c1-14-24(36-13-27-14)17-9-29-32(10-17)21(8-15-2-3-15)19-6-4-16(11-34(19)35)22-20(33-12-28-30-31-33)7-5-18(25)23(22)26/h4-7,9-13,15,21H,2-3,8H2,1H3/t21-/m1/s1
Definition date:	2022-05-13
Last modified:	2022-07-29
Release date:	2022-08-03
Identifier:	(5M)-5-[(6M)-3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl]-2-{(1R)-2-cyclopropyl-1-[(4P)-4-(4-methyl-1,3-thiazol-5-yl)-1H-pyrazol-1-yl]ethyl}-1-oxo-1lambda~5~-pyridine

OT7

OT7
Name:	5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-2-[(1~{R})-2-cyclopropyl-1-[4-(2-methylpyrazol-3-yl)pyrazol-1-yl]ethyl]-1-oxidanyl-pyridine
Formula:	C24 H21 Cl F N9 O
SMILES:	Fc1c(Cl)ccc(n2cnnn2)c1c1c[n+]([O-])c(cc1)C(CC1CC1)n1cc(cn1)c1ccnn1C
InChi:	InChI=1S/C24H21ClFN9O/c1-32-19(8-9-28-32)17-11-29-33(12-17)22(10-15-2-3-15)20-6-4-16(13-35(20)36)23-21(34-14-27-30-31-34)7-5-18(25)24(23)26/h4-9,11-15,22H,2-3,10H2,1H3/t22-/m1/s1
Definition date:	2022-05-13
Last modified:	2022-07-29
Release date:	2022-08-03
Identifier:	(3M)-1'-[(1R)-1-{(5M)-5-[(6M)-3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl]-1-oxo-1lambda~5~-pyridin-2-yl}-2-cyclopropylethyl]-2-methyl-1'H,2H-3,4'-bipyrazole

OTL

OTL
Name:	5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-2-[(1~{R})-2-cyclopropyl-1-[4-(3-methylimidazol-4-yl)pyrazol-1-yl]ethyl]-1-oxidanyl-pyridine
Formula:	C24 H21 Cl F N9 O
SMILES:	Fc1c(Cl)ccc(n2cnnn2)c1c1c[n+]([O-])c(cc1)C(CC1CC1)n1cc(cn1)c1cncn1C
InChi:	InChI=1S/C24H21ClFN9O/c1-32-13-27-10-22(32)17-9-29-33(11-17)21(8-15-2-3-15)19-6-4-16(12-35(19)36)23-20(34-14-28-30-31-34)7-5-18(25)24(23)26/h4-7,9-15,21H,2-3,8H2,1H3/t21-/m1/s1
Definition date:	2022-05-13
Last modified:	2022-07-29
Release date:	2022-08-03
Identifier:	(5M)-5-{[1(6)M]-3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl}-2-{(1R)-2-cyclopropyl-1-[(4M)-4-(1-methyl-1H-imidazol-5-yl)-1H-pyrazol-1-yl]ethyl}-1-oxo-1lambda~5~-pyridine

KXX

KXX
Name:	(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,22R,26aS)-8-ethyl-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone
Formula:	C43 H69 N O12
SMILES:	OC1CCC(CC1OC)C=C(/C)C1OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(C(CC(C)CC(C)=CC(CC)C(=O)CC(O)C1C)OC)C(CC2C)OC
InChi:	InChI=1S/C43H69NO12/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)44-16-12-11-13-31(44)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-32(45)35(22-29)52-7/h18,20,25,27-33,35-39,45-46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31-,32+,33-,35+,36-,37-,38+,39+,43+/m0/s1
Definition date:	2022-02-21
Last modified:	2022-07-22
Release date:	2022-07-27
Identifier:	(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,22R,26aS)-8-ethyl-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone

5Y1

5Y1
Name:	(5R)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2,6(28),11(27),12,14,22,24-octaene-4,7-dione
Formula:	C23 H23 N3 O5
SMILES:	O=C1NCCc2cc(ccc2)OCCCCOc2cccc(c2)C=2N=C1C(O)C(=O)N=2
InChi:	InChI=1S/C23H23N3O5/c27-20-19-22(28)24-10-9-15-5-3-7-17(13-15)30-11-1-2-12-31-18-8-4-6-16(14-18)21(25-19)26-23(20)29/h3-8,13-14,20,27H,1-2,9-12H2,(H,24,28)
Definition date:	2021-07-27
Last modified:	2022-07-22
Release date:	2022-07-27
Identifier:	(5R)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2,6(28),11(27),12,14,22,24-octaene-4,7-dione

OH6

OH6
Name:	~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (~{Z})-hexadec-9-enethioate
Formula:	C37 H64 N7 O17 P3 S
SMILES:	CCCCCCC=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O
InChi:	InChI=1S/C37H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h9-10,24-26,30-32,36,47-48H,4-8,11-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/b10-9-/t26-,30-,31+,32+,36-/m1/s1
Synonyms:	Palmitoleoyl-CoA
Definition date:	2022-05-02
Last modified:	2022-07-15
Release date:	2022-07-20
Identifier:	S-{(3S,5R,9R)-1-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-hexadec-9-enethioate (non-preferred name)

86I

86I
Name:	6-[(7-methyl-2-propyl-imidazo[4,5-b]pyridin-4-yl)methyl]-2-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]-1,3-benzothiazole
Formula:	C25 H22 N8 S
SMILES:	CCCc1nc2n(Cc3ccc4nc(sc4c3)c5ccccc5c6[nH]nnn6)ccc(C)c2n1
InChi:	InChI=1S/C25H22N8S/c1-3-6-21-27-22-15(2)11-12-33(24(22)28-21)14-16-9-10-19-20(13-16)34-25(26-19)18-8-5-4-7-17(18)23-29-31-32-30-23/h4-5,7-13H,3,6,14H2,1-2H3,(H,29,30,31,32)
Definition date:	2022-03-03
Last modified:	2022-07-15
Release date:	2022-07-20
Identifier:	6-[(7-methyl-2-propyl-imidazo[4,5-b]pyridin-4-yl)methyl]-2-[2-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]-1,3-benzothiazole

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