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ZS7

ZS7
Name:	3-amino-1H-isoindol-1-one
Formula:	C8 H6 N2 O
SMILES:	NC1=NC(=O)c2ccccc12
InChi:	InChI=1S/C8H6N2O/c9-7-5-3-1-2-4-6(5)8(11)10-7/h1-4H,(H2,9,10,11)
Definition date:	2021-05-28
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	3-amino-1H-isoindol-1-one

ZSA

ZSA
Name:	(2Z)-2-(3-amino-1H-isoindol-1-ylidene)hydrazine-1-carboximidamide
Formula:	C9 H10 N6
SMILES:	N=C(N)NN=C1/N=C(N)c2ccccc21
InChi:	InChI=1S/C9H10N6/c10-7-5-3-1-2-4-6(5)8(13-7)14-15-9(11)12/h1-4H,(H2,10,13,14)(H4,11,12,15)
Definition date:	2021-05-28
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	(2Z)-2-(3-amino-1H-isoindol-1-ylidene)hydrazine-1-carboximidamide

ZSD

ZSD
Name:	6-[(8R)-2-({[(3,5-dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]pyrimidin-4-amine
Formula:	C18 H24 N8 O
SMILES:	CN(Cc1c(C)onc1C)Cc1cc2CN(CCn2n1)c1cc(N)ncn1
InChi:	InChI=1S/C18H24N8O/c1-12-16(13(2)27-23-12)10-24(3)8-14-6-15-9-25(4-5-26(15)22-14)18-7-17(19)20-11-21-18/h6-7,11H,4-5,8-10H2,1-3H3,(H2,19,20,21)
Definition date:	2021-05-28
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	6-[(8R)-2-({[(3,5-dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]pyrimidin-4-amine

ZSG

ZSG
Name:	(8S)-5-(2-aminopyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
Formula:	C15 H22 N8 O
SMILES:	CN(C)CCNC(=O)c1cc2CN(CCn2n1)c1ccnc(N)n1
InChi:	InChI=1S/C15H22N8O/c1-21(2)6-5-17-14(24)12-9-11-10-22(7-8-23(11)20-12)13-3-4-18-15(16)19-13/h3-4,9H,5-8,10H2,1-2H3,(H,17,24)(H2,16,18,19)
Definition date:	2021-05-28
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	(8S)-5-(2-aminopyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

ZSJ

ZSJ
Name:	2-({[4-(methylsulfanyl)phenyl]methyl}amino)ethan-1-ol
Formula:	C10 H15 N O S
SMILES:	CSc1ccc(CNCCO)cc1
InChi:	InChI=1S/C10H15NOS/c1-13-10-4-2-9(3-5-10)8-11-6-7-12/h2-5,11-12H,6-8H2,1H3
Definition date:	2021-05-28
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	2-({[4-(methylsulfanyl)phenyl]methyl}amino)ethan-1-ol

ZSM

ZSM
Name:	(1,4-phenylene)bis(methylene) dicarbamimidothioate
Formula:	C10 H14 N4 S2
SMILES:	N=C(N)SCc1ccc(CSC(=N)N)cc1
InChi:	InChI=1S/C10H14N4S2/c11-9(12)15-5-7-1-2-8(4-3-7)6-16-10(13)14/h1-4H,5-6H2,(H3,11,12)(H3,13,14)
Definition date:	2021-05-28
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	(1,4-phenylene)bis(methylene) dicarbamimidothioate

ZSS

ZSS
Name:	(1R)-1-(4-chlorophenyl)ethyl carbamimidothioate
Formula:	C9 H11 Cl N2 S
SMILES:	Clc1ccc(cc1)C(C)SC(=N)N
InChi:	InChI=1S/C9H11ClN2S/c1-6(13-9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H3,11,12)/t6-/m1/s1
Definition date:	2021-05-28
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	(1R)-1-(4-chlorophenyl)ethyl carbamimidothioate

ZSY

ZSY
Name:	N-cyclopropyl-6-(furan-2-yl)-2-hydroxy-N-[(pyridin-2-yl)methyl]pyridine-3-carboxamide
Formula:	C19 H17 N3 O3
SMILES:	O=C(c1ccc(nc1O)c1ccco1)N(Cc1ccccn1)C1CC1
InChi:	InChI=1S/C19H17N3O3/c23-18-15(8-9-16(21-18)17-5-3-11-25-17)19(24)22(14-6-7-14)12-13-4-1-2-10-20-13/h1-5,8-11,14H,6-7,12H2,(H,21,23)
Definition date:	2021-05-28
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	N-cyclopropyl-6-(furan-2-yl)-2-hydroxy-N-[(pyridin-2-yl)methyl]pyridine-3-carboxamide

TO7

TO7
Name:	(4-amino-2-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone
Formula:	C17 H18 N4 O3 S
SMILES:	c4ccc(c(C(c1sc(nc1N)NC3C2CCC(C2)C3)=O)c4)[N+]([O-])=O
InChi:	InChI=1S/C17H18N4O3S/c18-16-15(14(22)11-3-1-2-4-13(11)21(23)24)25-17(20-16)19-12-8-9-5-6-10(12)7-9/h1-4,9-10,12H,5-8,18H2,(H,19,20)/t9-,10+,12+/m1/s1
Synonyms:	MC180295
Definition date:	2020-03-25
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	(4-amino-2-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone

TOJ

TOJ
Name:	(4-amino-2-{[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone
Formula:	C17 H18 N4 O3 S
SMILES:	c1cc(c(cc1)[N+](=O)[O-])C(=O)c2c(nc(s2)NC4C3CC(CC3)C4)N
InChi:	InChI=1S/C17H18N4O3S/c18-16-15(14(22)11-3-1-2-4-13(11)21(23)24)25-17(20-16)19-12-8-9-5-6-10(12)7-9/h1-4,9-10,12H,5-8,18H2,(H,19,20)/t9-,10+,12+/m0/s1
Definition date:	2020-03-25
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	(4-amino-2-{[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone

R8Q

R8Q
Name:	2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-4-propylsulfanyl-benzenesulfonamide
Formula:	C10 H11 F4 N O2 S2
SMILES:	CCCSc1c(F)c(F)c(c(F)c1F)[S](=O)(=O)NC
InChi:	InChI=1S/C10H11F4NO2S2/c1-3-4-18-9-5(11)7(13)10(8(14)6(9)12)19(16,17)15-2/h15H,3-4H2,1-2H3
Definition date:	2020-09-18
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-4-propylsulfanyl-benzenesulfonamide

2UI

2UI
Name:	(3R,6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol
Formula:	C30 H54 O3
SMILES:	C[CH](CC[CH](O)CCO)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3CC[C]12C)CC(C)(C)O
InChi:	InChI=1S/C30H54O3/c1-20(6-8-23(32)14-17-31)25-10-11-26-24-9-7-22-18-21(19-28(2,3)33)12-15-29(22,4)27(24)13-16-30(25,26)5/h20-27,31-33H,6-19H2,1-5H3/t20-,21-,22-,23-,24+,25-,26+,27+,29+,30-/m1/s1
Synonyms:	CAR-R
Definition date:	2021-06-23
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	(3~{R},6~{R})-6-[(3~{R},5~{R},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol

2WV

2WV
Name:	(3S,6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol
Formula:	C30 H54 O3
SMILES:	C[CH](CC[CH](O)CCO)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3CC[C]12C)CC(C)(C)O
InChi:	InChI=1S/C30H54O3/c1-20(6-8-23(32)14-17-31)25-10-11-26-24-9-7-22-18-21(19-28(2,3)33)12-15-29(22,4)27(24)13-16-30(25,26)5/h20-27,31-33H,6-19H2,1-5H3/t20-,21-,22-,23+,24+,25-,26+,27+,29+,30-/m1/s1
Synonyms:	CAR-S
Definition date:	2021-06-23
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	(3~{S},6~{R})-6-[(3~{R},5~{R},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol

4LY

4LY
Name:	[3-(4-{2-[3,5-difluoro-4-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)-1-(ethanesulfonyl)azetidin-3-yl]acetonitrile
Formula:	C28 H29 F2 N9 O2 S
SMILES:	O=S(=O)(CC)N1CC(C1)(CC#N)n1ncc(c1)c1nc(Nc2cc(F)c(C3=CCN(C)CC3)c(F)c2)nc2[NH]ccc21
InChi:	InChI=1S/C28H29F2N9O2S/c1-3-42(40,41)38-16-28(17-38,7-8-31)39-15-19(14-33-39)25-21-4-9-32-26(21)36-27(35-25)34-20-12-22(29)24(23(30)13-20)18-5-10-37(2)11-6-18/h4-5,9,12-15H,3,6-7,10-11,16-17H2,1-2H3,(H2,32,34,35,36)
Definition date:	2021-07-13
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	[3-(4-{2-[3,5-difluoro-4-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)-1-(ethanesulfonyl)azetidin-3-yl]acetonitrile

GJR

GJR
Name:	9-[[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]methyl]-2-chloranyl-purin-6-amine
Formula:	C13 H11 Cl F2 N6 O
SMILES:	Nc1nc(Cl)nc2n(Cc3cc(OCC(F)F)ccn3)cnc12
InChi:	InChI=1S/C13H11ClF2N6O/c14-13-20-11(17)10-12(21-13)22(6-19-10)4-7-3-8(1-2-18-7)23-5-9(15)16/h1-3,6,9H,4-5H2,(H2,17,20,21)
Definition date:	2020-09-01
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	9-[[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]methyl]-2-chloranyl-purin-6-amine

GJU

GJU
Name:	9-[(1~{S})-1-[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]ethyl]-2-chloranyl-purin-6-amine
Formula:	C14 H13 Cl F2 N6 O
SMILES:	C[CH](n1cnc2c(N)nc(Cl)nc12)c3cc(OCC(F)F)ccn3
InChi:	InChI=1S/C14H13ClF2N6O/c1-7(9-4-8(2-3-19-9)24-5-10(16)17)23-6-20-11-12(18)21-14(15)22-13(11)23/h2-4,6-7,10H,5H2,1H3,(H2,18,21,22)/t7-/m0/s1
Definition date:	2020-09-01
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	9-[(1~{S})-1-[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]ethyl]-2-chloranyl-purin-6-amine

GKU

GKU
Name:	4-[(2R)-2-(methylamino)propyl]phenol
Formula:	C10 H15 N O
SMILES:	CN[CH](C)Cc1ccc(O)cc1
InChi:	InChI=1S/C10H15NO/c1-8(11-2)7-9-3-5-10(12)6-4-9/h3-6,8,11-12H,7H2,1-2H3/t8-/m1/s1
Definition date:	2020-09-04
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	4-[(2~{R})-2-(methylamino)propyl]phenol

J3C

J3C
Name:	(7R,8R,9S)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol
Formula:	C18 H19 N3 O2
SMILES:	Cc1nc2n(ccc3[CH](O)[CH](O)[CH](Nc23)c4ccccc4)c1C
InChi:	InChI=1S/C18H19N3O2/c1-10-11(2)21-9-8-13-15(18(21)19-10)20-14(17(23)16(13)22)12-6-4-3-5-7-12/h3-9,14,16-17,20,22-23H,1-2H3/t14-,16+,17+/m0/s1
Definition date:	2021-03-30
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	(7~{R},8~{R},9~{S})-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol

4Q4

4Q4
Name:	{3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl}methanol
Formula:	C21 H26 Cl2 N4 O2
SMILES:	Clc1cccc(c1Cl)c1nc(CO)c(nc1C)N1CCC2(CC1)COC(C)C2N
InChi:	InChI=1S/C21H26Cl2N4O2/c1-12-18(14-4-3-5-15(22)17(14)23)26-16(10-28)20(25-12)27-8-6-21(7-9-27)11-29-13(2)19(21)24/h3-5,13,19,28H,6-11,24H2,1-2H3/t13-,19+/m0/s1
Definition date:	2021-07-13
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	{3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl}methanol

0HJ

0HJ
Name:	6-O-[(2S)-2-{(1S)-18-[(1R,2R)-2-hexylcyclopropyl]-1-hydroxyoctadecyl}tricosanoyl]-alpha-D-glucopyranosyl alpha-D-glucopyranoside
Formula:	C62 H118 O13
SMILES:	CCCCCCC1CC1CCCCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCCCCCCCCCCCC)C(=O)OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
InChi:	InChI=1S/C62H118O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-20-23-26-29-32-35-39-43-50(60(71)72-47-53-55(66)57(68)59(70)62(74-53)75-61-58(69)56(67)54(65)52(46-63)73-61)51(64)44-40-36-33-30-27-24-21-18-19-22-25-28-31-34-38-42-49-45-48(49)41-37-8-6-4-2/h48-59,61-70H,3-47H2,1-2H3/t48-,49-,50+,51+,52-,53-,54-,55-,56+,57+,58-,59-,61-,62-/m1/s1
Definition date:	2021-06-09
Last modified:	2021-08-27
Release date:	2021-09-01
Identifier:	6-O-[(2S)-2-{(1S)-18-[(1R,2R)-2-hexylcyclopropyl]-1-hydroxyoctadecyl}tricosanoyl]-alpha-D-glucopyranosyl alpha-D-glucopyranoside

PA1

PA1
Name:	2-amino-2-deoxy-alpha-D-glucopyranose
Formula:	C6 H13 N O5
SMILES:	OC1C(O)C(OC(O)C1N)CO
InChi:	InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6+/m1/s1
Synonyms:	alpah-D-glucosamine
Definition date:	1999-07-08
Last modified:	2021-08-24
Identifier:	2-amino-2-deoxy-alpha-D-glucopyranose

YF6

YF6
Name:	N-(1-[1,1-di(pyridin-2-yl)ethyl]-6-{1-methyl-6-oxo-5-[(piperidin-4-yl)amino]-1,6-dihydropyridin-3-yl}-1H-indol-4-yl)ethanesulfonamide
Formula:	C33 H37 N7 O3 S
SMILES:	c1c(NS(CC)(=O)=O)c4c(cc1C2=CN(C(C(=C2)NC3CCNCC3)=O)C)n(cc4)C(C)(c5ncccc5)c6ncccc6
InChi:	InChI=1S/C33H37N7O3S/c1-4-44(42,43)38-27-19-23(24-20-28(32(41)39(3)22-24)37-25-11-16-34-17-12-25)21-29-26(27)13-18-40(29)33(2,30-9-5-7-14-35-30)31-10-6-8-15-36-31/h5-10,13-15,18-22,25,34,37-38H,4,11-12,16-17H2,1-3H3
Definition date:	2020-07-30
Last modified:	2021-08-20
Release date:	2021-08-25
Identifier:	N-(1-[1,1-di(pyridin-2-yl)ethyl]-6-{1-methyl-6-oxo-5-[(piperidin-4-yl)amino]-1,6-dihydropyridin-3-yl}-1H-indol-4-yl)ethanesulfonamide

YSS

YSS
Name:	15R-methyl-prostaglandin D2
Formula:	C21 H34 O5
SMILES:	OC1CC(=O)C(/C=C/C(C)(O)CCCCC)C1CC=C/CCCC(=O)O
InChi:	InChI=1S/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-18,22,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,21-/m1/s1
Synonyms:	(5Z,13E,15R,16E)-9alpha,15-dihydroxy-15-methyl-11-oxo-12alpha-prosta-5,13,16-trien-1-oic acid
Definition date:	2021-03-31
Last modified:	2021-08-20
Release date:	2021-08-25
Identifier:	(5Z,13E,15R)-9alpha,15-dihydroxy-15-methyl-11-oxo-12alpha-prosta-5,13-dien-1-oic acid

V7W

V7W
Name:	(2S,4R)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid
Formula:	C8 H9 N O2 S2
SMILES:	OC(=O)[CH]1CS[CH](N1)c2sccc2
InChi:	InChI=1S/C8H9NO2S2/c10-8(11)5-4-13-7(9-5)6-2-1-3-12-6/h1-3,5,7,9H,4H2,(H,10,11)/t5-,7-/m0/s1
Definition date:	2021-04-26
Last modified:	2021-08-20
Release date:	2021-08-25
Identifier:	(2~{S},4~{R})-2-thiophen-2-yl-1,3-thiazolidine-4-carboxylic acid

YGS

YGS
Name:	(2-methylprop-2-en-1-yl)benzene
Formula:	C10 H12
SMILES:	CC(=C)Cc1ccccc1
InChi:	InChI=1S/C10H12/c1-9(2)8-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3
Definition date:	2021-03-03
Last modified:	2021-08-20
Release date:	2021-08-25
Identifier:	(2-methylprop-2-en-1-yl)benzene

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