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LB6

LB6
Name:	N-[(6-bromo-1H-indol-1-yl)acetyl]glycine
Formula:	C12 H11 Br N2 O3
SMILES:	O=C(O)CNC(=O)Cn1ccc2ccc(Br)cc21
InChi:	InChI=1S/C12H11BrN2O3/c13-9-2-1-8-3-4-15(10(8)5-9)7-11(16)14-6-12(17)18/h1-5H,6-7H2,(H,14,16)(H,17,18)
Definition date:	2021-04-05
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	N-[(6-bromo-1H-indol-1-yl)acetyl]glycine

XEA

XEA
Name:	(3R)-1,2-oxazolidine-3-carbonitrile
Formula:	C4 H6 N2 O
SMILES:	N#CC1NOCC1
InChi:	InChI=1S/C4H6N2O/c5-3-4-1-2-7-6-4/h4,6H,1-2H2
Definition date:	2020-12-14
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	(3R)-1,2-oxazolidine-3-carbonitrile

XEJ

XEJ
Name:	(3R)-3-aminobutanamide
Formula:	C4 H10 N2 O
SMILES:	CC(N)CC(N)=O
InChi:	InChI=1S/C4H10N2O/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H2,6,7)/t3-/m1/s1
Definition date:	2020-12-14
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	(3R)-3-aminobutanamide

XGJ

XGJ
Name:	(3S)-1,2,4-triazolidin-3-amine
Formula:	C2 H8 N4
SMILES:	NC1NNCN1
InChi:	InChI=1S/C2H8N4/c3-2-4-1-5-6-2/h2,4-6H,1,3H2/t2-/m1/s1
Definition date:	2020-12-16
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	(3S)-1,2,4-triazolidin-3-amine

XGY

XGY
Name:	(4S)-1-methylimidazolidin-4-amine
Formula:	C4 H11 N3
SMILES:	CN1CC(NC1)N
InChi:	InChI=1S/C4H11N3/c1-7-2-4(5)6-3-7/h4,6H,2-3,5H2,1H3/t4-/m0/s1
Definition date:	2020-12-16
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	(4S)-1-methylimidazolidin-4-amine

XH1

XH1
Name:	N-propan-2-ylurea
Formula:	C4 H10 N2 O
SMILES:	CC(C)NC(N)=O
InChi:	InChI=1S/C4H10N2O/c1-3(2)6-4(5)7/h3H,1-2H3,(H3,5,6,7)
Definition date:	2020-12-16
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	N-propan-2-ylurea

XH4

XH4
Name:	[(3R)-pyrazolidin-3-yl]methanol
Formula:	C4 H10 N2 O
SMILES:	OCC1NNCC1
InChi:	InChI=1S/C4H10N2O/c7-3-4-1-2-5-6-4/h4-7H,1-3H2/t4-/m1/s1
Definition date:	2020-12-16
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	[(3R)-pyrazolidin-3-yl]methanol

XH7

XH7
Name:	(3R)-thiolane-3-carboxylic acid
Formula:	C5 H8 O2 S
SMILES:	O=C(O)C1CSCC1
InChi:	InChI=1S/C5H8O2S/c6-5(7)4-1-2-8-3-4/h4H,1-3H2,(H,6,7)/t4-/m0/s1
Definition date:	2020-12-16
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	(3R)-thiolane-3-carboxylic acid

XHD

XHD
Name:	2-cyanoacetamide
Formula:	C3 H4 N2 O
SMILES:	N#CCC(N)=O
InChi:	InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)
Definition date:	2020-12-16
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	2-cyanoacetamide

XHG

XHG
Name:	1-[(2R)-oxolan-2-yl]methanamine
Formula:	C5 H11 N O
SMILES:	NCC1OCCC1
InChi:	InChI=1S/C5H11NO/c6-4-5-2-1-3-7-5/h5H,1-4,6H2
Definition date:	2020-12-16
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	1-[(2R)-oxolan-2-yl]methanamine

XHJ

XHJ
Name:	(3S)-pyrazolidin-3-amine
Formula:	C3 H9 N3
SMILES:	NC1NNCC1
InChi:	InChI=1S/C3H9N3/c4-3-1-2-5-6-3/h3,5-6H,1-2,4H2/t3-/m0/s1
Definition date:	2020-12-16
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	(3S)-pyrazolidin-3-amine

XJP

XJP
Name:	(2S,4R)-1,3-thiazolidine-2,4-diamine
Formula:	C3 H9 N3 S
SMILES:	NC1NC(SC1)N
InChi:	InChI=1S/C3H9N3S/c4-2-1-7-3(5)6-2/h2-3,6H,1,4-5H2/t2-,3+/m1/s1
Definition date:	2020-12-17
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	(2S,4R)-1,3-thiazolidine-2,4-diamine

XK1

XK1
Name:	1-[(4R)-1,3-oxazolidin-4-yl]methanamine
Formula:	C4 H10 N2 O
SMILES:	NCC1NCOC1
InChi:	InChI=1S/C4H10N2O/c5-1-4-2-7-3-6-4/h4,6H,1-3,5H2/t4-/m1/s1
Definition date:	2020-12-17
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	1-[(4R)-1,3-oxazolidin-4-yl]methanamine

XK4

XK4
Name:	(3R)-1,2-oxazolidin-3-amine
Formula:	C3 H8 N2 O
SMILES:	NC1NOCC1
InChi:	InChI=1S/C3H8N2O/c4-3-1-2-6-5-3/h3,5H,1-2,4H2/t3-/m1/s1
Definition date:	2020-12-17
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	(3R)-1,2-oxazolidin-3-amine

XK7

XK7
Name:	1-aminocyclopropane-1-carboxamide
Formula:	C4 H8 N2 O
SMILES:	NC(=O)C1(CC1)N
InChi:	InChI=1S/C4H8N2O/c5-3(7)4(6)1-2-4/h1-2,6H2,(H2,5,7)
Definition date:	2020-12-17
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	1-aminocyclopropane-1-carboxamide

XKD

XKD
Name:	N-methyl-D-alaninamide
Formula:	C4 H10 N2 O
SMILES:	CNC(=O)C(C)N
InChi:	InChI=1S/C4H10N2O/c1-3(5)4(7)6-2/h3H,5H2,1-2H3,(H,6,7)/t3-/m1/s1
Definition date:	2020-12-17
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	N-methyl-D-alaninamide

XKV

XKV
Name:	(2R)-2-aminobutanamide
Formula:	C4 H10 N2 O
SMILES:	CCC(N)C(N)=O
InChi:	InChI=1S/C4H10N2O/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H2,6,7)
Definition date:	2020-12-18
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	(2R)-2-aminobutanamide

XKY

XKY
Name:	(4S)-imidazolidine-4-carbonitrile
Formula:	C4 H7 N3
SMILES:	N#CC1NCNC1
InChi:	InChI=1S/C4H7N3/c5-1-4-2-6-3-7-4/h4,6-7H,2-3H2
Definition date:	2020-12-18
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	(4S)-imidazolidine-4-carbonitrile

XZM

XZM
Name:	N-(1,3-benzothiazol-2-yl)-2-(4-{[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]carbamoyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
Formula:	C42 H40 F3 N7 O7 S5
SMILES:	N1(Cc2c(CC1)cccc2C(=O)Nc4nc3c(cccc3)s4)c8scc(C(NS(c5cc(S(=O)(C(F)(F)F)=O)c(cc5)NC(CCN6CCOCC6)CSc7ccccc7)(=O)=O)=O)n8
InChi:	InChI=1S/C42H40F3N7O7S5/c43-42(44,45)63(55,56)37-23-30(13-14-34(37)46-28(16-17-51-19-21-59-22-20-51)25-60-29-8-2-1-3-9-29)64(57,58)50-39(54)35-26-61-41(48-35)52-18-15-27-7-6-10-31(32(27)24-52)38(53)49-40-47-33-11-4-5-12-36(33)62-40/h1-14,23,26,28,46H,15-22,24-25H2,(H,50,54)(H,47,49,53)/t28-/m1/s1
Definition date:	2021-01-22
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	N-(1,3-benzothiazol-2-yl)-2-(4-{[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]carbamoyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide

Y36

Y36
Name:	N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-[1-methyl-5-(methylamino)-6-oxo-1,6-dihydropyridin-3-yl]-1H-indol-4-yl}ethanesulfonamide
Formula:	C29 H30 N6 O3 S
SMILES:	c2(cc(C1=CN(C(C(=C1)NC)=O)C)cc3c2ccn3C(c4ncccc4)(c5ncccc5)C)NS(CC)(=O)=O
InChi:	InChI=1S/C29H30N6O3S/c1-5-39(37,38)33-23-16-20(21-17-24(30-3)28(36)34(4)19-21)18-25-22(23)12-15-35(25)29(2,26-10-6-8-13-31-26)27-11-7-9-14-32-27/h6-19,30,33H,5H2,1-4H3
Definition date:	2020-07-30
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-[1-methyl-5-(methylamino)-6-oxo-1,6-dihydropyridin-3-yl]-1H-indol-4-yl}ethanesulfonamide

FUO

FUO
Name:	2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-N-(phenylmethyl)ethanamide
Formula:	C31 H36 N4 O3
SMILES:	O=C(Cc1ccc(cn1)c2ccc(OCCN3CCN(CC3)C(=O)CC4CC4)cc2)NCc5ccccc5
InChi:	InChI=1S/C31H36N4O3/c36-30(33-22-25-4-2-1-3-5-25)21-28-11-8-27(23-32-28)26-9-12-29(13-10-26)38-19-18-34-14-16-35(17-15-34)31(37)20-24-6-7-24/h1-5,8-13,23-24H,6-7,14-22H2,(H,33,36)
Definition date:	2020-06-16
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-~{N}-(phenylmethyl)ethanamide

FWC

FWC
Name:	N-Methylanthraniloyl-CoA
Formula:	C29 H43 N8 O17 P3 S
SMILES:	CNc1ccccc1C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O[P](O)(O)=O)n3cnc4c(N)ncnc34
InChi:	InChI=1S/C29H43N8O17P3S/c1-29(2,23(40)26(41)33-9-8-19(38)32-10-11-58-28(42)16-6-4-5-7-17(16)31-3)13-51-57(48,49)54-56(46,47)50-12-18-22(53-55(43,44)45)21(39)27(52-18)37-15-36-20-24(30)34-14-35-25(20)37/h4-7,14-15,18,21-23,27,31,39-40H,8-13H2,1-3H3,(H,32,38)(H,33,41)(H,46,47)(H,48,49)(H2,30,34,35)(H2,43,44,45)/t18-,21-,22-,23+,27-/m1/s1
Definition date:	2020-06-25
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},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] 2-(methylamino)benzenecarbothioate

EQF

EQF
Name:	(3~{R},4~{S})-1-[[6-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-3,4-dimethyl-pyrrolidine-2,5-dione
Formula:	C12 H11 Cl F3 N3 O2
SMILES:	C[CH]1[CH](C)C(=O)N(Nc2ccc(c(Cl)n2)C(F)(F)F)C1=O
InChi:	InChI=1S/C12H11ClF3N3O2/c1-5-6(2)11(21)19(10(5)20)18-8-4-3-7(9(13)17-8)12(14,15)16/h3-6H,1-2H3,(H,17,18)/t5-,6+
Definition date:	2020-01-21
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	(3~{R},4~{S})-1-[[6-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-3,4-dimethyl-pyrrolidine-2,5-dione

H5O

H5O
Name:	(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-5-methoxy-6-[(3R,4R,5S)-4-oxidanyl-5-(4-pyrimidin-5-yl-1,2,3-triazol-1-yl)oxan-3-yl]sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol
Formula:	C26 H27 F3 N8 O6 S
SMILES:	CO[CH]1[CH](O[CH](CO)[CH](O)[CH]1n2cc(nn2)c3cc(F)c(F)c(F)c3)S[CH]4COC[CH]([CH]4O)n5cc(nn5)c6cncnc6
InChi:	InChI=1S/C26H27F3N8O6S/c1-41-25-22(37-7-16(32-35-37)12-2-14(27)21(29)15(28)3-12)24(40)19(8-38)43-26(25)44-20-10-42-9-18(23(20)39)36-6-17(33-34-36)13-4-30-11-31-5-13/h2-7,11,18-20,22-26,38-40H,8-10H2,1H3/t18-,19+,20+,22-,23+,24-,25+,26-/m0/s1
Definition date:	2020-11-12
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-5-methoxy-6-[(3~{R},4~{R},5~{S})-4-oxidanyl-5-(4-pyrimidin-5-yl-1,2,3-triazol-1-yl)oxan-3-yl]sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol

QDZ

QDZ
Name:	~{N},~{N}-dimethyl-1-[1-[2-(1-methylindol-4-yl)-3~{H}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine
Formula:	C21 H21 N7
SMILES:	CN(C)Cc1cnn(c1)c2ccnc3[nH]c(nc23)c4cccc5n(C)ccc45
InChi:	InChI=1S/C21H21N7/c1-26(2)12-14-11-23-28(13-14)18-7-9-22-21-19(18)24-20(25-21)16-5-4-6-17-15(16)8-10-27(17)3/h4-11,13H,12H2,1-3H3,(H,22,24,25)
Definition date:	2020-06-09
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	~{N},~{N}-dimethyl-1-[1-[2-(1-methylindol-4-yl)-3~{H}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine

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