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GO8

GO8
Name:	8-propan-2-ylsulfanyl-7~{H}-purin-6-amine
Formula:	C8 H11 N5 S
SMILES:	CC(C)Sc1[nH]c2c(N)ncnc2n1
InChi:	InChI=1S/C8H11N5S/c1-4(2)14-8-12-5-6(9)10-3-11-7(5)13-8/h3-4H,1-2H3,(H3,9,10,11,12,13)
Definition date:	2018-09-29
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	8-propan-2-ylsulfanyl-7~{H}-purin-6-amine

KUV

KUV
Name:	5-amino-N-{5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
Formula:	C20 H22 F3 N7 O S
SMILES:	n3(c(c(NC(c2nc(c1c(cccc1F)F)sc2N)=O)cn3)N4CCC(C(F)CC4)N)C
InChi:	InChI=1S/C20H22F3N7OS/c1-29-20(30-7-5-10(21)13(24)6-8-30)14(9-26-29)27-18(31)16-17(25)32-19(28-16)15-11(22)3-2-4-12(15)23/h2-4,9-10,13H,5-8,24-25H2,1H3,(H,27,31)/t10-,13-/m1/s1
Definition date:	2019-01-16
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	5-amino-N-{5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

B2U

B2U
Name:	N-[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-D-phenylalanine
Formula:	C20 H18 Cl N O6
SMILES:	c1ccccc1CC(C(O)=O)NC(=O)c3cc(Cl)c2CC(C)OC(c2c3O)=O
InChi:	InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15-/m1/s1
Definition date:	2019-01-09
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	N-[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-D-phenylalanine

F7Q

F7Q
Name:	(2~{S})-2-azanyl-3-[1-(dioxidanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-yl]propanoic acid
Formula:	C9 H11 N O5
SMILES:	N[CH](CC1(OO)C=CC(=O)C=C1)C(O)=O
InChi:	InChI=1S/C9H11NO5/c10-7(8(12)13)5-9(15-14)3-1-6(11)2-4-9/h1-4,7,14H,5,10H2,(H,12,13)/t7-/m0/s1
Definition date:	2018-06-07
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	(2~{S})-2-azanyl-3-[1-(dioxidanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-yl]propanoic acid

GUK

GUK
Name:	6-chloranyl-3-(2~{H}-indazol-5-yl)-~{N}-propan-2-yl-imidazo[1,2-b]pyridazin-8-amine
Formula:	C16 H15 Cl N6
SMILES:	CC(C)Nc1cc(Cl)nn2c(cnc12)c3ccc4n[nH]cc4c3
InChi:	InChI=1S/C16H15ClN6/c1-9(2)20-13-6-15(17)22-23-14(8-18-16(13)23)10-3-4-12-11(5-10)7-19-21-12/h3-9,20H,1-2H3,(H,19,21)
Definition date:	2018-10-10
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	6-chloranyl-3-(2~{H}-indazol-5-yl)-~{N}-propan-2-yl-imidazo[1,2-b]pyridazin-8-amine

BXE

BXE
Name:	[3-(2~{H}-1,2,3,4-tetrazol-5-yl)propanoylamino]azanium
Formula:	C4 H9 N6 O
SMILES:	[NH3+]NC(=O)CCc1n[nH]nn1
InChi:	InChI=1S/C4H8N6O/c5-6-4(11)2-1-3-7-9-10-8-3/h1-2,5H2,(H,6,11)(H,7,8,9,10)/p+1
Definition date:	2017-10-27
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	[3-(2~{H}-1,2,3,4-tetrazol-5-yl)propanoylamino]azanium

JDG

JDG
Name:	2-cyclohexyl-7-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-8-[3-(pyrrolidin-1-yl)propoxy]-3H-1,4-benzodiazepin-5-amine
Formula:	C31 H49 N5 O2
SMILES:	C1N(CCC1)CCCOc5c(cc2c(N=C(CN=C2NC3CCN(CC3)C(C)C)C4CCCCC4)c5)OC
InChi:	InChI=1S/C31H49N5O2/c1-23(2)36-17-12-25(13-18-36)33-31-26-20-29(37-3)30(38-19-9-16-35-14-7-8-15-35)21-27(26)34-28(22-32-31)24-10-5-4-6-11-24/h20-21,23-25H,4-19,22H2,1-3H3,(H,32,33)
Definition date:	2018-08-31
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	2-cyclohexyl-7-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-8-[3-(pyrrolidin-1-yl)propoxy]-3H-1,4-benzodiazepin-5-amine

862

862
Name:	1-[(3~{R})-3-[4-azanyl-3-[1-(4-ethanoylphenyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
Formula:	C23 H25 N9 O2
SMILES:	CCC(=O)N1CCC[CH](C1)n2nc(c3cn(nn3)c4ccc(cc4)C(C)=O)c5c(N)ncnc25
InChi:	InChI=1S/C23H25N9O2/c1-3-19(34)30-10-4-5-17(11-30)32-23-20(22(24)25-13-26-23)21(28-32)18-12-31(29-27-18)16-8-6-15(7-9-16)14(2)33/h6-9,12-13,17H,3-5,10-11H2,1-2H3,(H2,24,25,26)/t17-/m1/s1
Definition date:	2018-11-28
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	1-[(3~{R})-3-[4-azanyl-3-[1-(4-ethanoylphenyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one

G4H

G4H
Name:	~{N}-[1-methyl-2-oxidanylidene-3-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]benzimidazol-5-yl]propanamide
Formula:	C37 H36 N6 O3
SMILES:	CCC(=O)Nc1ccc2N(C)C(=O)N(C3CCN(CC3)Cc4ccc(cc4)c5nc6C=CNC(=O)c6cc5c7ccccc7)c2c1
InChi:	InChI=1S/C37H36N6O3/c1-3-34(44)39-27-13-14-32-33(21-27)43(37(46)41(32)2)28-16-19-42(20-17-28)23-24-9-11-26(12-10-24)35-29(25-7-5-4-6-8-25)22-30-31(40-35)15-18-38-36(30)45/h4-15,18,21-22,28H,3,16-17,19-20,23H2,1-2H3,(H,38,45)(H,39,44)
Definition date:	2018-08-28
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	~{N}-[1-methyl-2-oxidanylidene-3-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]benzimidazol-5-yl]propanamide

G4N

G4N
Name:	~{N}-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-3-(propanoylamino)benzamide
Formula:	C36 H35 N5 O3
SMILES:	CCC(=O)Nc1cccc(c1)C(=O)NC2CCN(CC2)Cc3ccc(cc3)c4nc5C=CNC(=O)c5cc4c6ccccc6
InChi:	InChI=1S/C36H35N5O3/c1-2-33(42)38-29-10-6-9-27(21-29)35(43)39-28-16-19-41(20-17-28)23-24-11-13-26(14-12-24)34-30(25-7-4-3-5-8-25)22-31-32(40-34)15-18-37-36(31)44/h3-15,18,21-22,28H,2,16-17,19-20,23H2,1H3,(H,37,44)(H,38,42)(H,39,43)
Definition date:	2018-08-28
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	~{N}-[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-3-(propanoylamino)benzamide

G4Q

G4Q
Name:	~{N}-[4-[4-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]phenyl]propanamide
Formula:	C34 H33 N5 O2
SMILES:	CCC(=O)Nc1ccc(cc1)N2CCN(CC2)Cc3ccc(cc3)c4nc5C=CNC(=O)c5cc4c6ccccc6
InChi:	InChI=1S/C34H33N5O2/c1-2-32(40)36-27-12-14-28(15-13-27)39-20-18-38(19-21-39)23-24-8-10-26(11-9-24)33-29(25-6-4-3-5-7-25)22-30-31(37-33)16-17-35-34(30)41/h3-17,22H,2,18-21,23H2,1H3,(H,35,41)(H,36,40)
Definition date:	2018-08-28
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	~{N}-[4-[4-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperazin-1-yl]phenyl]propanamide

G4T

G4T
Name:	~{N}-[2-chloranyl-5-[[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]carbamoylamino]phenyl]propanamide
Formula:	C36 H35 Cl N6 O3
SMILES:	CCC(=O)Nc1cc(NC(=O)NC2CCN(CC2)Cc3ccc(cc3)c4nc5C=CNC(=O)c5cc4c6ccccc6)ccc1Cl
InChi:	InChI=1S/C36H35ClN6O3/c1-2-33(44)41-32-20-27(12-13-30(32)37)40-36(46)39-26-15-18-43(19-16-26)22-23-8-10-25(11-9-23)34-28(24-6-4-3-5-7-24)21-29-31(42-34)14-17-38-35(29)45/h3-14,17,20-21,26H,2,15-16,18-19,22H2,1H3,(H,38,45)(H,41,44)(H2,39,40,46)
Definition date:	2018-08-28
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	~{N}-[2-chloranyl-5-[[1-[[4-(5-oxidanylidene-3-phenyl-6~{H}-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]carbamoylamino]phenyl]propanamide

G5W

G5W
Name:	(2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
Formula:	C15 H17 N3 O3 S
SMILES:	COc1cccc(c1)c2sc(NC(=O)[CH](C)N)nc2C(C)=O
InChi:	InChI=1S/C15H17N3O3S/c1-8(16)14(20)18-15-17-12(9(2)19)13(22-15)10-5-4-6-11(7-10)21-3/h4-8H,16H2,1-3H3,(H,17,18,20)/t8-/m1/s1
Definition date:	2018-08-29
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	(2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]propanamide

G5Z

G5Z
Name:	(2~{R})-2-azanyl-~{N}-(4-ethanoyl-5-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
Formula:	C13 H14 N4 O2 S
SMILES:	C[CH](N)C(=O)Nc1sc(c2cccnc2)c(n1)C(C)=O
InChi:	InChI=1S/C13H14N4O2S/c1-7(14)12(19)17-13-16-10(8(2)18)11(20-13)9-4-3-5-15-6-9/h3-7H,14H2,1-2H3,(H,16,17,19)/t7-/m1/s1
Definition date:	2018-08-29
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	(2~{R})-2-azanyl-~{N}-(4-ethanoyl-5-pyridin-3-yl-1,3-thiazol-2-yl)propanamide

G6B

G6B
Name:	(2~{R})-~{N}-[5-(3-aminophenyl)-4-ethanoyl-1,3-thiazol-2-yl]-2-azanyl-propanamide
Formula:	C14 H16 N4 O2 S
SMILES:	C[CH](N)C(=O)Nc1sc(c2cccc(N)c2)c(n1)C(C)=O
InChi:	InChI=1S/C14H16N4O2S/c1-7(15)13(20)18-14-17-11(8(2)19)12(21-14)9-4-3-5-10(16)6-9/h3-7H,15-16H2,1-2H3,(H,17,18,20)/t7-/m1/s1
Definition date:	2018-08-29
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	(2~{R})-~{N}-[5-(3-aminophenyl)-4-ethanoyl-1,3-thiazol-2-yl]-2-azanyl-propanamide

G6E

G6E
Name:	(2~{R})-2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]propanamide
Formula:	C13 H15 N5 O2 S
SMILES:	C[CH](N)C(=O)Nc1sc(c2cncc(N)c2)c(n1)C(C)=O
InChi:	InChI=1S/C13H15N5O2S/c1-6(14)12(20)18-13-17-10(7(2)19)11(21-13)8-3-9(15)5-16-4-8/h3-6H,14-15H2,1-2H3,(H,17,18,20)/t6-/m1/s1
Definition date:	2018-08-29
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	(2~{R})-2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]propanamide

G7B

G7B
Name:	2-azanyl-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)-2-methyl-propanamide
Formula:	C9 H13 N3 O2 S
SMILES:	CC(=O)c1csc(NC(=O)C(C)(C)N)n1
InChi:	InChI=1S/C9H13N3O2S/c1-5(13)6-4-15-8(11-6)12-7(14)9(2,3)10/h4H,10H2,1-3H3,(H,11,12,14)
Definition date:	2018-08-29
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	2-azanyl-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)-2-methyl-propanamide

G7N

G7N
Name:	(2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide
Formula:	C14 H17 N7 O2 S
SMILES:	C[CH](NC(N)=N)C(=O)Nc1sc(c2cncc(N)c2)c(n1)C(C)=O
InChi:	InChI=1S/C14H17N7O2S/c1-6(19-13(16)17)12(23)21-14-20-10(7(2)22)11(24-14)8-3-9(15)5-18-4-8/h3-6H,15H2,1-2H3,(H4,16,17,19)(H,20,21,23)/t6-/m1/s1
Definition date:	2018-08-30
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	(2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide

J8A

J8A
Name:	3-{2-[(cyclopropanecarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(piperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide
Formula:	C29 H27 F3 N6 O2 S
SMILES:	c1cc(cc(c1)C(Nc3ccc(CN2CCNCC2)c(c3)C(F)(F)F)=O)c5ccc6nc(NC(=O)C4CC4)sc6n5
InChi:	InChI=1S/C29H27F3N6O2S/c30-29(31,32)22-15-21(7-6-20(22)16-38-12-10-33-11-13-38)34-26(40)19-3-1-2-18(14-19)23-8-9-24-27(35-23)41-28(36-24)37-25(39)17-4-5-17/h1-3,6-9,14-15,17,33H,4-5,10-13,16H2,(H,34,40)(H,36,37,39)
Definition date:	2018-08-22
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	3-{2-[(cyclopropanecarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(piperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide

KSD

KSD
Name:	N-({2,6-dimethoxy-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)-D-alanine
Formula:	C26 H29 N O5
SMILES:	c3cc(COc1cc(OC)c(c(c1)OC)CNC(C(=O)O)C)c(C)c(c2ccccc2)c3
InChi:	InChI=1S/C26H29NO5/c1-17-20(11-8-12-22(17)19-9-6-5-7-10-19)16-32-21-13-24(30-3)23(25(14-21)31-4)15-27-18(2)26(28)29/h5-14,18,27H,15-16H2,1-4H3,(H,28,29)/t18-/m1/s1
Definition date:	2019-01-11
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	N-({2,6-dimethoxy-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)-D-alanine

KXP

KXP
Name:	(2S)-1-{[(R)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl icosa-5,8,11,14-tetraenoate
Formula:	C47 H85 O19 P3
SMILES:	C(OC(CCCCCCCCCCCCCCCCC)=O)C(COP(=O)(O)OC1C(O)C(C(C(C1O)OP(O)(O)=O)OP(O)(O)=O)O)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)/t39-,42+,43-,44-,45+,46+,47+/m0/s1
Definition date:	2019-01-23
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	(2S)-1-{[(R)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl icosa-5,8,11,14-tetraenoate

KXS

KXS
Name:	(1R,2S,5R)-N-(4-methoxyphenyl)-5-methyl-2-(propan-2-yl)cyclohexane-1-carboxamide
Formula:	C18 H27 N O2
SMILES:	c1c(ccc(c1)OC)NC(C2C(CCC(C)C2)C(C)C)=O
InChi:	InChI=1S/C18H27NO2/c1-12(2)16-10-5-13(3)11-17(16)18(20)19-14-6-8-15(21-4)9-7-14/h6-9,12-13,16-17H,5,10-11H2,1-4H3,(H,19,20)/t13-,16+,17-/m1/s1
Definition date:	2019-01-23
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	(1R,2S,5R)-N-(4-methoxyphenyl)-5-methyl-2-(propan-2-yl)cyclohexane-1-carboxamide

JR7

JR7
Name:	N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]propanamide
Formula:	C12 H11 Cl N2 O S
SMILES:	C(C)C(=O)Nc1scc(n1)c2ccc(Cl)cc2
InChi:	InChI=1S/C12H11ClN2OS/c1-2-11(16)15-12-14-10(7-17-12)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3,(H,14,15,16)
Definition date:	2018-09-18
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]propanamide

JRD

JRD
Name:	N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
Formula:	C17 H17 N3 O2 S
SMILES:	O=C(N(c2scc(c1ccccc1)n2)Cc3onc(C)c3)CC
InChi:	InChI=1S/C17H17N3O2S/c1-3-16(21)20(10-14-9-12(2)19-22-14)17-18-15(11-23-17)13-7-5-4-6-8-13/h4-9,11H,3,10H2,1-2H3
Definition date:	2018-09-18
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

JRM

JRM
Name:	methyl N-(4-phenyl-1,3-thiazol-2-yl)-N-propanoylglycinate
Formula:	C15 H16 N2 O3 S
SMILES:	n1c(N(CC(=O)OC)C(CC)=O)scc1c2ccccc2
InChi:	InChI=1S/C15H16N2O3S/c1-3-13(18)17(9-14(19)20-2)15-16-12(10-21-15)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
Definition date:	2018-09-18
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	methyl N-(4-phenyl-1,3-thiazol-2-yl)-N-propanoylglycinate

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