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VXJ

VXJ
Name:	N-(3-chloro-4-fluorophenyl)-3-phenyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
Formula:	C19 H16 Cl F N4 O
SMILES:	c1c(c(cc(c1)NC(=O)N2Cc3c(CC2)nnc3c4ccccc4)Cl)F
InChi:	InChI=1S/C19H16ClFN4O/c20-15-10-13(6-7-16(15)21)22-19(26)25-9-8-17-14(11-25)18(24-23-17)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,22,26)(H,23,24)
Definition date:	2020-09-18
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	N-(3-chloro-4-fluorophenyl)-3-phenyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide

S7N

S7N
Name:	(phenylmethyl) ~{N}-[(2~{R})-3-methyl-1-[[(2~{S})-1-[[(3~{S})-1-methylsulfanyl-4-oxidanylidene-pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate
Formula:	C22 H33 N3 O5 S
SMILES:	CSCC[CH](NC(=O)[CH](C)NC(=O)[CH](NC(=O)OCc1ccccc1)C(C)C)C(C)=O
InChi:	InChI=1S/C22H33N3O5S/c1-14(2)19(25-22(29)30-13-17-9-7-6-8-10-17)21(28)23-15(3)20(27)24-18(16(4)26)11-12-31-5/h6-10,14-15,18-19H,11-13H2,1-5H3,(H,23,28)(H,24,27)(H,25,29)/t15-,18-,19+/m0/s1
Synonyms:	Z-VAM-FMK
Definition date:	2020-11-10
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	(phenylmethyl) ~{N}-[(2~{R})-3-methyl-1-[[(2~{S})-1-[[(3~{S})-1-methylsulfanyl-4-oxidanylidene-pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate

S7Q

S7Q
Name:	(phenylmethyl) ~{N}-[(2~{S})-3-methyl-1-[[(2~{R})-1-[[(3~{R})-1-methylsulfanyl-4-oxidanylidene-pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate
Formula:	C22 H33 N3 O5 S
SMILES:	CSCC[CH](NC(=O)[CH](C)NC(=O)[CH](NC(=O)OCc1ccccc1)C(C)C)C(C)=O
InChi:	InChI=1S/C22H33N3O5S/c1-14(2)19(25-22(29)30-13-17-9-7-6-8-10-17)21(28)23-15(3)20(27)24-18(16(4)26)11-12-31-5/h6-10,14-15,18-19H,11-13H2,1-5H3,(H,23,28)(H,24,27)(H,25,29)/t15-,18-,19+/m1/s1
Synonyms:	zVAM.fmk
Definition date:	2020-11-10
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	(phenylmethyl) ~{N}-[(2~{S})-3-methyl-1-[[(2~{R})-1-[[(3~{R})-1-methylsulfanyl-4-oxidanylidene-pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate

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

YFP

YFP
Name:	1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol
Formula:	C40 H77 O10 P
SMILES:	O=C(OC(COP(O)(=O)OCC(O)CO)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
InChi:	InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46)/t37?,38-/m1/s1
Definition date:	2021-02-25
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	(19R,22R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl octadec-9-enoate

YFS

YFS
Name:	N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide
Formula:	C16 H21 N3 O3
SMILES:	c1(ccc(cc1OC)NC(C(N)CC(C)C)=O)c2ocnc2
InChi:	InChI=1S/C16H21N3O3/c1-10(2)6-13(17)16(20)19-11-4-5-12(14(7-11)21-3)15-8-18-9-22-15/h4-5,7-10,13H,6,17H2,1-3H3,(H,19,20)/t13-/m1/s1
Definition date:	2021-02-26
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide

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

V8A

V8A
Name:	2,7-bis[3-(morpholin-4-yl)propyl]-4,9-bis{[3-(morpholin-4-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone
Formula:	C42 H60 N8 O8
SMILES:	C(CCN1CCOCC1)N2C(=O)c7c6c(C2=O)cc(NCCCN3CCOCC3)c5C(=O)N(CCCN4CCOCC4)C(c(c56)cc7NCCCN8CCOCC8)=O
InChi:	InChI=1S/C42H60N8O8/c51-39-31-29-33(43-5-1-7-45-13-21-55-22-14-45)37-35-32(40(52)49(41(37)53)11-3-9-47-17-25-57-26-18-47)30-34(44-6-2-8-46-15-23-56-24-16-46)38(36(31)35)42(54)50(39)12-4-10-48-19-27-58-28-20-48/h29-30,43-44H,1-28H2
Definition date:	2020-07-14
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	2,7-bis[3-(morpholin-4-yl)propyl]-4,9-bis{[3-(morpholin-4-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone

V8B

V8B
Name:	6-methyl-3-[4-(2-oxidanylpropan-2-yl)phenyl]-4~{H}-pyrrolo[1,2-a]pyrazin-1-one
Formula:	C17 H18 N2 O2
SMILES:	Cc1ccc2n1CC(=NC2=O)c3ccc(cc3)C(C)(C)O
InChi:	InChI=1S/C17H18N2O2/c1-11-4-9-15-16(20)18-14(10-19(11)15)12-5-7-13(8-6-12)17(2,3)21/h4-9,21H,10H2,1-3H3
Definition date:	2021-04-28
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	6-methyl-3-[4-(2-oxidanylpropan-2-yl)phenyl]-4~{H}-pyrrolo[1,2-a]pyrazin-1-one

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

TEQ

TEQ
Name:	5-[(5S,7R)-3-fluoranyl-7-(2-methylpyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]quinolin-2-amine
Formula:	C21 H19 F N6
SMILES:	Cc1ncccc1[CH]2C[CH](Nc3n2ncc3F)c4cccc5nc(N)ccc45
InChi:	InChI=1S/C21H19FN6/c1-12-13(5-3-9-24-12)19-10-18(27-21-16(22)11-25-28(19)21)14-4-2-6-17-15(14)7-8-20(23)26-17/h2-9,11,18-19,27H,10H2,1H3,(H2,23,26)/t18-,19+/m0/s1
Synonyms:	5-[(5~{S},7~{R})-3-fluoranyl-7-(2-methylpyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]quinolin-2-amine
Definition date:	2020-12-21
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	5-[(5~{S},7~{R})-3-fluoranyl-7-(2-methylpyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]quinolin-2-amine

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

0W4

0W4
Name:	~{N}-[(2-chlorophenyl)methyl]-3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide
Formula:	C19 H16 Cl2 N4 O
SMILES:	Clc1ccccc1CNC(=O)c2nccnc2NCc3ccccc3Cl
InChi:	InChI=1S/C19H16Cl2N4O/c20-15-7-3-1-5-13(15)11-24-18-17(22-9-10-23-18)19(26)25-12-14-6-2-4-8-16(14)21/h1-10H,11-12H2,(H,23,24)(H,25,26)
Definition date:	2021-06-09
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	~{N}-[(2-chlorophenyl)methyl]-3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide

0X7

0X7
Name:	3-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
Formula:	C13 H14 N4 O
SMILES:	Cc1ccccc1CNc2nccnc2C(N)=O
InChi:	InChI=1S/C13H14N4O/c1-9-4-2-3-5-10(9)8-17-13-11(12(14)18)15-6-7-16-13/h2-7H,8H2,1H3,(H2,14,18)(H,16,17)
Definition date:	2021-06-09
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	3-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide

0YI

0YI
Name:	3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide
Formula:	C12 H11 Cl N4 O
SMILES:	NC(=O)c1nccnc1NCc2ccccc2Cl
InChi:	InChI=1S/C12H11ClN4O/c13-9-4-2-1-3-8(9)7-17-12-10(11(14)18)15-5-6-16-12/h1-6H,7H2,(H2,14,18)(H,16,17)
Definition date:	2021-06-09
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide

0YK

0YK
Name:	7-(4-cyclohexyloxyphenyl)-9-methyl-4$l^{6}-thia-1$l^{4},5,8-triazabicyclo[4.4.0]deca-1(10),6,8-triene 4,4-dioxide
Formula:	C19 H23 N3 O3 S
SMILES:	CC1=CN2CC[S](=O)(=O)N=C2C(=N1)c3ccc(OC4CCCCC4)cc3
InChi:	InChI=1S/C19H23N3O3S/c1-14-13-22-11-12-26(23,24)21-19(22)18(20-14)15-7-9-17(10-8-15)25-16-5-3-2-4-6-16/h7-10,13,16H,2-6,11-12H2,1H3
Definition date:	2021-06-17
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	9-(4-cyclohexyloxyphenyl)-7-methyl-3,4-dihydropyrazino[2,1-c][1,2,4]thiadiazine 2,2-dioxide

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