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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

V9B

V9B
Name:	N-methyl-4-propanoyl-1H-pyrrole-2-carboxamide
Formula:	C9 H12 N2 O2
SMILES:	CCC(=O)c1c[nH]c(c1)C(=O)NC
InChi:	InChI=1S/C9H12N2O2/c1-3-8(12)6-4-7(11-5-6)9(13)10-2/h4-5,11H,3H2,1-2H3,(H,10,13)
Synonyms:	N-methyl-4-propionyl-1H-pyrrole-2-carboxamide
Definition date:	2021-05-01
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	~{N}-methyl-4-propanoyl-1~{H}-pyrrole-2-carboxamide

V9H

V9H
Name:	3N-methyl-5N-(4-oxidanylcyclohexyl)-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
Formula:	C20 H26 N4 O3
SMILES:	CNC(=O)c1cc(n(n1)[CH](C)c2ccccc2)C(=O)N[CH]3CC[CH](O)CC3
InChi:	InChI=1S/C20H26N4O3/c1-13(14-6-4-3-5-7-14)24-18(12-17(23-24)19(26)21-2)20(27)22-15-8-10-16(25)11-9-15/h3-7,12-13,15-16,25H,8-11H2,1-2H3,(H,21,26)(H,22,27)/t13-,15-,16-/m0/s1
Synonyms:	N5-((1r,4S)-4-hydroxycyclohexyl)-N3-methyl-1-((S)-1-phenylethyl)-1H-pyrazole-3,5-dicarboxamide
Definition date:	2021-05-01
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	~{N}3-methyl-~{N}5-(4-oxidanylcyclohexyl)-1-[(1~{S})-1-phenylethyl]pyrazole-3,5-dicarboxamide

V9K

V9K
Name:	2N-methyl-4N-(4-oxidanylcyclohexyl)-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
Formula:	C21 H26 N2 O4
SMILES:	CNC(=O)c1oc([CH](C)c2ccccc2)c(c1)C(=O)N[CH]3CC[CH](O)CC3
InChi:	InChI=1S/C21H26N2O4/c1-13(14-6-4-3-5-7-14)19-17(12-18(27-19)21(26)22-2)20(25)23-15-8-10-16(24)11-9-15/h3-7,12-13,15-16,24H,8-11H2,1-2H3,(H,22,26)(H,23,25)/t13-,15-,16-/m0/s1
Synonyms:	N4-hydroxycyclohexyl-N2-methyl-5-phenylethyl-furan-2,4-dicarboxamide
Definition date:	2021-05-01
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	~{N}2-methyl-~{N}4-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethyl]furan-2,4-dicarboxamide

V9N

V9N
Name:	(3S)-N7,3-dimethyl-N5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide
Formula:	C23 H24 N2 O4
SMILES:	CNC(=O)c1cc(cc2c1OC[C]2(C)c3ccccc3)C(=O)NC4[CH]5COC[CH]45
InChi:	InChI=1S/C23H24N2O4/c1-23(14-6-4-3-5-7-14)12-29-20-15(22(27)24-2)8-13(9-18(20)23)21(26)25-19-16-10-28-11-17(16)19/h3-9,16-17,19H,10-12H2,1-2H3,(H,24,27)(H,25,26)/t16-,17+,19+,23-/m0/s1
Synonyms:	rac-N5-((1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl)-N7,3-dimethyl-3-phenyl-2,3-dihydrobenzofuran-5,7-dicarboxamide
Definition date:	2021-05-02
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	(3~{S})-~{N}7,3-dimethyl-~{N}5-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2~{H}-1-benzofuran-5,7-dicarboxamide

V9Q

V9Q
Name:	(3S)-3-(1H-indol-4-yl)-N7-methyl-N5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
Formula:	C24 H23 N3 O4
SMILES:	CNC(=O)c1cc(cc2[CH](COc12)c3cccc4[nH]ccc34)C(=O)NC5[CH]6COC[CH]56
InChi:	InChI=1S/C24H23N3O4/c1-25-24(29)16-8-12(23(28)27-21-18-9-30-10-19(18)21)7-15-17(11-31-22(15)16)13-3-2-4-20-14(13)5-6-26-20/h2-8,17-19,21,26H,9-11H2,1H3,(H,25,29)(H,27,28)/t17-,18-,19+,21+/m0/s1
Synonyms:	N5-((1R,5S,6r)-3-oxabicyclo[3.1.0]hexan-6-yl)-3-(1H-indol-4-yl)-N7-methyl-2,3-dihydrobenzofuran-5,7-dicarboxamide
Definition date:	2021-05-02
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	(3~{S})-3-(1~{H}-indol-4-yl)-~{N}7-methyl-~{N}5-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-2,3-dihydro-1-benzofuran-5,7-dicarboxamide

UTG

UTG
Name:	N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
Formula:	C12 H11 Cl N2 O S
SMILES:	c1cccc(c1NC(NCc2ccco2)=S)Cl
InChi:	InChI=1S/C12H11ClN2OS/c13-10-5-1-2-6-11(10)15-12(17)14-8-9-4-3-7-16-9/h1-7H,8H2,(H2,14,15,17)
Definition date:	2020-06-01
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea

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

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

VCD

VCD
Name:	4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1H-indole
Formula:	C21 H24 N4 O3 S
SMILES:	C5OCC(C)N(c4cc(C1(S(C)(=O)=O)CC1)nc(c2cccc3c2ccn3)n4)C5
InChi:	InChI=1S/C21H24N4O3S/c1-14-13-28-11-10-25(14)19-12-18(21(7-8-21)29(2,26)27)23-20(24-19)16-4-3-5-17-15(16)6-9-22-17/h3-6,9,12,14,22H,7-8,10-11,13H2,1-2H3/t14-/m1/s1
Definition date:	2020-07-27
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1H-indole

VE5

VE5
Name:	N5-cyclopropyl-N3-methyl-1-(phenylmethyl)pyrazole-3,5-dicarboxamide
Formula:	C16 H18 N4 O2
SMILES:	CNC(=O)c1cc(n(Cc2ccccc2)n1)C(=O)NC3CC3
InChi:	InChI=1S/C16H18N4O2/c1-17-15(21)13-9-14(16(22)18-12-7-8-12)20(19-13)10-11-5-3-2-4-6-11/h2-6,9,12H,7-8,10H2,1H3,(H,17,21)(H,18,22)
Synonyms:	1-benzyl-N5-cyclopropyl-N3-methyl-1H-pyrazole-3,5-dicarboxamide
Definition date:	2021-05-07
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	~{N}5-cyclopropyl-~{N}3-methyl-1-(phenylmethyl)pyrazole-3,5-dicarboxamide

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

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

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

OLQ

OLQ
Name:	2,6-difluoro-3-methoxybenzamide
Formula:	C8 H7 F2 N O2
SMILES:	COc1ccc(F)c(C(N)=O)c1F
InChi:	InChI=1S/C8H7F2NO2/c1-13-5-3-2-4(9)6(7(5)10)8(11)12/h2-3H,1H3,(H2,11,12)
Synonyms:	2,6-bis(fluoranyl)-3-methoxy-benzamide
Definition date:	2020-03-20
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	2,6-bis(fluoranyl)-3-methoxy-benzamide

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

OM8

OM8
Name:	3-[(3-chlorophenyl)methoxy]-2,6-bis(fluoranyl)benzamide
Formula:	C14 H10 Cl F2 N O2
SMILES:	NC(=O)c1c(F)ccc(OCc2cccc(Cl)c2)c1F
InChi:	InChI=1S/C14H10ClF2NO2/c15-9-3-1-2-8(6-9)7-20-11-5-4-10(16)12(13(11)17)14(18)19/h1-6H,7H2,(H2,18,19)
Definition date:	2020-03-20
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	3-[(3-chlorophenyl)methoxy]-2,6-bis(fluoranyl)benzamide

OMW

OMW
Name:	2,6-bis(fluoranyl)-3-[[3-(trifluoromethyl)phenyl]methoxy]benzamide
Formula:	C15 H10 F5 N O2
SMILES:	NC(=O)c1c(F)ccc(OCc2cccc(c2)C(F)(F)F)c1F
InChi:	InChI=1S/C15H10F5NO2/c16-10-4-5-11(13(17)12(10)14(21)22)23-7-8-2-1-3-9(6-8)15(18,19)20/h1-6H,7H2,(H2,21,22)
Definition date:	2020-03-20
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	2,6-bis(fluoranyl)-3-[[3-(trifluoromethyl)phenyl]methoxy]benzamide

V4W

V4W
Name:	4-deoxy-L-erythro-hex-5-ulosuronic acid
Formula:	C6 H8 O6
SMILES:	O[CH](CC(=O)C(O)=O)[CH](O)C=O
InChi:	InChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h2-3,5,8,10H,1H2,(H,11,12)/t3-,5+/m0/s1
Synonyms:	(4S,5S)-4,5-bis(oxidanyl)-2,6-bis(oxidanylidene)hexanoic acid
Definition date:	2021-04-13
Last modified:	2021-07-23
Release date:	2021-07-28
Identifier:	(4~{S},5~{S})-4,5-bis(oxidanyl)-2,6-bis(oxidanylidene)hexanoic acid

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