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YFV

YFV
Name:	5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine
Formula:	C23 H28 N8 S
SMILES:	c3(c1n(ccc1CN2CCC(CC2)N)ncn3)Nc4cccc(c4)c5sc(C(C)C)nn5
InChi:	InChI=1S/C23H28N8S/c1-15(2)22-28-29-23(32-22)16-4-3-5-19(12-16)27-21-20-17(6-11-31(20)26-14-25-21)13-30-9-7-18(24)8-10-30/h3-6,11-12,14-15,18H,7-10,13,24H2,1-2H3,(H,25,26,27)
Definition date:	2021-02-26
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine

YFY

YFY
Name:	(2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(propan-2-yl)piperidine-2-carboxamide
Formula:	C19 H25 N3 O3
SMILES:	COc2cc(ccc2c1cnco1)NC(=O)C3C(C(C)C)CCCN3
InChi:	InChI=1S/C19H25N3O3/c1-12(2)14-5-4-8-21-18(14)19(23)22-13-6-7-15(16(9-13)24-3)17-10-20-11-25-17/h6-7,9-12,14,18,21H,4-5,8H2,1-3H3,(H,22,23)/t14-,18-/m1/s1
Definition date:	2021-02-26
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	(2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(propan-2-yl)piperidine-2-carboxamide

ZKM

ZKM
Name:	N-[(1S,2R,3E)-2-hydroxy-1-{[(3-O-sulfo-beta-D-galactopyranosyl)oxy]methyl}heptadec-3-en-1-yl]-hexadecanamide
Formula:	C40 H77 N O11 S
SMILES:	CCCCCCCCCCCCCC=CC(O)C(COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)NC(=O)CCCCCCCCCCCCCCC
InChi:	InChI=1S/C40H77NO11S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(32-50-40-38(46)39(52-53(47,48)49)37(45)35(31-42)51-40)41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,33-35,37-40,42-43,45-46H,3-26,28,30-32H2,1-2H3,(H,41,44)(H,47,48,49)/b29-27+/t33-,34+,35+,37-,38+,39-,40+/m0/s1
Definition date:	2021-04-30
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-beta-D-galactopyranosyl)oxy]octadec-4-en-2-yl}hexadecanamide

G5X

G5X
Name:	1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indole-3-carboxamide
Formula:	C21 H21 N5 O2
SMILES:	NC(=O)c1cn(c2ccnc(N)n2)c3cc(ccc13)C#CC4(O)CCCCC4
InChi:	InChI=1S/C21H21N5O2/c22-19(27)16-13-26(18-7-11-24-20(23)25-18)17-12-14(4-5-15(16)17)6-10-21(28)8-2-1-3-9-21/h4-5,7,11-13,28H,1-3,8-9H2,(H2,22,27)(H2,23,24,25)
Definition date:	2020-07-30
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indole-3-carboxamide

XNG

XNG
Name:	4-(decanoylamino)butanoic acid
Formula:	C14 H27 N O3
SMILES:	C(CCC(=O)O)NC(CCCCCCCCC)=O
InChi:	InChI=1S/C14H27NO3/c1-2-3-4-5-6-7-8-10-13(16)15-12-9-11-14(17)18/h2-12H2,1H3,(H,15,16)(H,17,18)
Definition date:	2020-12-22
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	4-(decanoylamino)butanoic acid

Z7S

Z7S
Name:	N-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide
Formula:	C9 H18 N2 O5
SMILES:	OC1C(O)C(NC(C)=O)C(CO)NC1CO
InChi:	InChI=1S/C9H18N2O5/c1-4(14)10-7-5(2-12)11-6(3-13)8(15)9(7)16/h5-9,11-13,15-16H,2-3H2,1H3,(H,10,14)/t5-,6-,7+,8-,9-/m1/s1
Definition date:	2021-04-12
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	N-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide

Z8V

Z8V
Name:	N-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide
Formula:	C9 H18 N2 O5
SMILES:	OC1C(O)C(NC(C)=O)C(CO)NC1CO
InChi:	InChI=1S/C9H18N2O5/c1-4(14)10-7-5(2-12)11-6(3-13)8(15)9(7)16/h5-9,11-13,15-16H,2-3H2,1H3,(H,10,14)/t5-,6+,7-,8+,9+/m0/s1
Definition date:	2021-04-12
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	N-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide

Y6P

Y6P
Name:	7-methyl-3-(1~{H}-pyrazol-4-yl)-1~{H}-indole-2-carboxylic acid
Formula:	C13 H11 N3 O2
SMILES:	Cc1cccc2c1[nH]c(C(O)=O)c2c3c[nH]nc3
InChi:	InChI=1S/C13H11N3O2/c1-7-3-2-4-9-10(8-5-14-15-6-8)12(13(17)18)16-11(7)9/h2-6,16H,1H3,(H,14,15)(H,17,18)
Definition date:	2021-02-08
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	7-methyl-3-(1~{H}-pyrazol-4-yl)-1~{H}-indole-2-carboxylic acid

ZHM

ZHM
Name:	2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazol-5-yl]pyridine
Formula:	C19 H19 Br2 N5 O
SMILES:	Brc1cc(Oc2cccc(n2)c2c(C)nnn2C2CCNCC2)c(Br)cc1
InChi:	InChI=1S/C19H19Br2N5O/c1-12-19(26(25-24-12)14-7-9-22-10-8-14)16-3-2-4-18(23-16)27-17-11-13(20)5-6-15(17)21/h2-6,11,14,22H,7-10H2,1H3
Definition date:	2021-04-29
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazol-5-yl]pyridine

ZHS

ZHS
Name:	2-(4-{5-[6-(3,5-dimethylphenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine
Formula:	C25 H34 N6 O
SMILES:	Cc1cc(cc(C)c1)Oc1cccc(n1)c1c(C)nnn1C1CCN(CCN(C)C)CC1
InChi:	InChI=1S/C25H34N6O/c1-18-15-19(2)17-22(16-18)32-24-8-6-7-23(26-24)25-20(3)27-28-31(25)21-9-11-30(12-10-21)14-13-29(4)5/h6-8,15-17,21H,9-14H2,1-5H3
Definition date:	2021-04-29
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	2-(4-{5-[6-(3,5-dimethylphenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine

ZHV

ZHV
Name:	2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine
Formula:	C23 H28 Br2 N6 O
SMILES:	Brc1cc(Oc2cccc(n2)c2c(C)nnn2C2CCN(CCN(C)C)CC2)c(Br)cc1
InChi:	InChI=1S/C23H28Br2N6O/c1-16-23(31(28-27-16)18-9-11-30(12-10-18)14-13-29(2)3)20-5-4-6-22(26-20)32-21-15-17(24)7-8-19(21)25/h4-8,15,18H,9-14H2,1-3H3
Definition date:	2021-04-29
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine

GG0

GG0
Name:	2-(2-azanylethanoylamino)ethanoic acid
Formula:	C4 H8 N2 O3
SMILES:	NCC(=O)NCC(O)=O
InChi:	InChI=1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
Definition date:	2020-08-07
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	2-(2-azanylethanoylamino)ethanoic acid

GOU

GOU
Name:	6-chloranyl-9-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]purin-2-amine
Formula:	C12 H13 Cl N6 O
SMILES:	CC(C)c1cc(Cn2cnc3c(Cl)nc(N)nc23)on1
InChi:	InChI=1S/C12H13ClN6O/c1-6(2)8-3-7(20-18-8)4-19-5-15-9-10(13)16-12(14)17-11(9)19/h3,5-6H,4H2,1-2H3,(H2,14,16,17)
Definition date:	2020-09-16
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	6-chloranyl-9-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]purin-2-amine

GQ0

GQ0
Name:	9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine
Formula:	C13 H15 Cl N6 O
SMILES:	CC(C)(C)c1cc(Cn2cnc3c(Cl)nc(N)nc23)on1
InChi:	InChI=1S/C13H15ClN6O/c1-13(2,3)8-4-7(21-19-8)5-20-6-16-9-10(14)17-12(15)18-11(9)20/h4,6H,5H2,1-3H3,(H2,15,17,18)
Definition date:	2020-09-16
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	9-[(3-~{tert}-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine

GQ3

GQ3
Name:	9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine
Formula:	C13 H17 Cl N6 O
SMILES:	CC(C)(C)C1=NO[CH](Cn2cnc3c(Cl)nc(N)nc23)C1
InChi:	InChI=1S/C13H17ClN6O/c1-13(2,3)8-4-7(21-19-8)5-20-6-16-9-10(14)17-12(15)18-11(9)20/h6-7H,4-5H2,1-3H3,(H2,15,17,18)/t7-/m1/s1
Definition date:	2020-09-16
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	9-[(3-~{tert}-butyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine

GQ6

GQ6
Name:	6-chloranyl-9-[(4-methylphenyl)methyl]purin-2-amine
Formula:	C13 H12 Cl N5
SMILES:	Cc1ccc(Cn2cnc3c(Cl)nc(N)nc23)cc1
InChi:	InChI=1S/C13H12ClN5/c1-8-2-4-9(5-3-8)6-19-7-16-10-11(14)17-13(15)18-12(10)19/h2-5,7H,6H2,1H3,(H2,15,17,18)
Definition date:	2020-09-16
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	6-chloranyl-9-[(4-methylphenyl)methyl]purin-2-amine

GQ9

GQ9
Name:	6-chloranyl-9-[(2-phenyl-1,3-oxazol-5-yl)methyl]purin-2-amine
Formula:	C15 H11 Cl N6 O
SMILES:	Nc1nc(Cl)c2ncn(Cc3oc(nc3)c4ccccc4)c2n1
InChi:	InChI=1S/C15H11ClN6O/c16-12-11-13(21-15(17)20-12)22(8-19-11)7-10-6-18-14(23-10)9-4-2-1-3-5-9/h1-6,8H,7H2,(H2,17,20,21)
Definition date:	2020-09-16
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	6-chloranyl-9-[(2-phenyl-1,3-oxazol-5-yl)methyl]purin-2-amine

1AI

1AI
Name:	~{N}-[(2-methylphenyl)methyl]-3-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
Formula:	C21 H22 N4 O
SMILES:	Cc1ccccc1CNC(=O)c2nccnc2NCc3ccccc3C
InChi:	InChI=1S/C21H22N4O/c1-15-7-3-5-9-17(15)13-24-20-19(22-11-12-23-20)21(26)25-14-18-10-6-4-8-16(18)2/h3-12H,13-14H2,1-2H3,(H,23,24)(H,25,26)
Definition date:	2021-06-09
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	~{N}-[(2-methylphenyl)methyl]-3-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide

1FI

1FI
Name:	3-[[2-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxamide
Formula:	C13 H11 F3 N4 O
SMILES:	NC(=O)c1nccnc1NCc2ccccc2C(F)(F)F
InChi:	InChI=1S/C13H11F3N4O/c14-13(15,16)9-4-2-1-3-8(9)7-20-12-10(11(17)21)18-5-6-19-12/h1-6H,7H2,(H2,17,21)(H,19,20)
Definition date:	2021-06-09
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	3-[[2-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxamide

GUC

GUC
Name:	N-[3-[(3S)-1-azanyl-5-fluoranyl-3-methyl-4H-2,6-naphthyridin-3-yl]-4-fluoranyl-phenyl]-5-cyano-3-methyl-pyridine-2-carboxamide
Formula:	C23 H18 F2 N6 O
SMILES:	Cc1cc(cnc1C(=O)Nc2ccc(F)c(c2)[C]3(C)Cc4c(F)nccc4C(=N3)N)C#N
InChi:	InChI=1S/C23H18F2N6O/c1-12-7-13(10-26)11-29-19(12)22(32)30-14-3-4-18(24)17(8-14)23(2)9-16-15(21(27)31-23)5-6-28-20(16)25/h3-8,11H,9H2,1-2H3,(H2,27,31)(H,30,32)/t23-/m0/s1
Definition date:	2020-09-24
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	~{N}-[3-[(3~{S})-1-azanyl-5-fluoranyl-3-methyl-4~{H}-2,6-naphthyridin-3-yl]-4-fluoranyl-phenyl]-5-cyano-3-methyl-pyridine-2-carboxamide

QPB

QPB
Name:	methyl (~{Z})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoate
Formula:	C11 H12 O3
SMILES:	COC(=O)C(C)=Cc1ccc(O)cc1
InChi:	InChI=1S/C11H12O3/c1-8(11(13)14-2)7-9-3-5-10(12)6-4-9/h3-7,12H,1-2H3/b8-7-
Definition date:	2020-07-16
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	methyl (~{Z})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoate

QPE

QPE
Name:	methyl (~{Z})-2-methyl-3-phenyl-prop-2-enoate
Formula:	C11 H12 O2
SMILES:	COC(=O)C(C)=Cc1ccccc1
InChi:	InChI=1S/C11H12O2/c1-9(11(12)13-2)8-10-6-4-3-5-7-10/h3-8H,1-2H3/b9-8-
Definition date:	2020-07-16
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	methyl (~{Z})-2-methyl-3-phenyl-prop-2-enoate

QPK

QPK
Name:	3-chloranyl-2,6-bis(fluoranyl)phenol
Formula:	C6 H3 Cl F2 O
SMILES:	Oc1c(F)ccc(Cl)c1F
InChi:	InChI=1S/C6H3ClF2O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H
Definition date:	2020-07-17
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	3-chloranyl-2,6-bis(fluoranyl)phenol

QPN

QPN
Name:	1-[1-(3-fluorophenyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
Formula:	C15 H16 F N3 O
SMILES:	CCC(=O)N1CCc2n(ncc2C1)c3cccc(F)c3
InChi:	InChI=1S/C15H16FN3O/c1-2-15(20)18-7-6-14-11(10-18)9-17-19(14)13-5-3-4-12(16)8-13/h3-5,8-9H,2,6-7,10H2,1H3
Definition date:	2020-07-17
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	1-[1-(3-fluorophenyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one

QTB

QTB
Name:	(3~{E},5~{E},7~{E})-6-methyl-8-[(6~{R})-2,2,6-trimethylcyclohexyl]octa-3,5,7-trien-2-one
Formula:	C18 H28 O
SMILES:	C[CH]1CCCC(C)(C)[CH]1C=CC(C)=CC=CC(C)=O
InChi:	InChI=1S/C18H28O/c1-14(8-6-10-16(3)19)11-12-17-15(2)9-7-13-18(17,4)5/h6,8,10-12,15,17H,7,9,13H2,1-5H3/b10-6+,12-11+,14-8+/t15-,17+/m1/s1
Definition date:	2020-08-06
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	(3~{E},5~{E},7~{E})-6-methyl-8-[(6~{R})-2,2,6-trimethylcyclohexyl]octa-3,5,7-trien-2-one

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