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KVU

KVU
Name:	1-(2,4-dichlorophenyl)-3-oxidanyl-urea
Formula:	C7 H6 Cl2 N2 O2
SMILES:	ONC(=O)Nc1ccc(Cl)cc1Cl
InChi:	InChI=1S/C7H6Cl2N2O2/c8-4-1-2-6(5(9)3-4)10-7(12)11-13/h1-3,13H,(H2,10,11,12)
Definition date:	2022-06-07
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	1-(2,4-dichlorophenyl)-3-oxidanyl-urea

CI5

CI5
Name:	(5~{R})-3-(4-carbamimidoylphenyl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide
Formula:	C24 H24 N4 O3
SMILES:	CC[CH](NC(=O)[CH]1CN(C(=O)O1)c2ccc(cc2)C(N)=N)c3cccc4ccccc34
InChi:	InChI=1S/C24H24N4O3/c1-2-20(19-9-5-7-15-6-3-4-8-18(15)19)27-23(29)21-14-28(24(30)31-21)17-12-10-16(11-13-17)22(25)26/h3-13,20-21H,2,14H2,1H3,(H3,25,26)(H,27,29)/t20-,21+/m0/s1
Definition date:	2021-12-14
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(5~{R})-3-(4-carbamimidoylphenyl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide

IS6

IS6
Name:	(2R)-N-(3-bromanylprop-2-ynyl)-1-ethanoyl-pyrrolidine-2-carboxamide
Formula:	C10 H13 Br N2 O2
SMILES:	CC(=O)N1CCC[CH]1C(=O)NCC#CBr
InChi:	InChI=1S/C10H13BrN2O2/c1-8(14)13-7-2-4-9(13)10(15)12-6-3-5-11/h9H,2,4,6-7H2,1H3,(H,12,15)/t9-/m1/s1
Definition date:	2022-04-12
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(2~{R})-~{N}-(3-bromanylprop-2-ynyl)-1-ethanoyl-pyrrolidine-2-carboxamide

ISK

ISK
Name:	2-acetamido-N-(3-bromanylprop-2-ynyl)ethanamide
Formula:	C7 H9 Br N2 O2
SMILES:	CC(=O)NCC(=O)NCC#CBr
InChi:	InChI=1S/C7H9BrN2O2/c1-6(11)10-5-7(12)9-4-2-3-8/h4-5H2,1H3,(H,9,12)(H,10,11)
Definition date:	2022-04-11
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	2-acetamido-~{N}-(3-bromanylprop-2-ynyl)ethanamide

IT4

IT4
Name:	4-bromanyl-2-oxidanyl-benzoic acid
Formula:	C7 H5 Br O3
SMILES:	OC(=O)c1ccc(Br)cc1O
InChi:	InChI=1S/C7H5BrO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11)
Definition date:	2022-04-11
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	4-bromanyl-2-oxidanyl-benzoic acid

IT8

IT8
Name:	(2R)-2-acetamido-N-(3-bromanylprop-2-ynyl)-3-methyl-butanamide
Formula:	C10 H15 Br N2 O2
SMILES:	CC(C)[CH](NC(C)=O)C(=O)NCC#CBr
InChi:	InChI=1S/C10H15BrN2O2/c1-7(2)9(13-8(3)14)10(15)12-6-4-5-11/h7,9H,6H2,1-3H3,(H,12,15)(H,13,14)/t9-/m1/s1
Definition date:	2022-04-12
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(2~{R})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)-3-methyl-butanamide

IV1

IV1
Name:	(1R,3S,5Z)-5-[(E)-3-[3,5-bis(6-methyl-6-oxidanyl-heptyl)phenyl]prop-2-enylidene]-4-methylidene-cyclohexane-1,3-diol
Formula:	C32 H50 O4
SMILES:	CC(C)(O)CCCCCc1cc(CCCCCC(C)(C)O)cc(C=CC=C2C[CH](O)C[CH](O)C2=C)c1
InChi:	InChI=1S/C32H50O4/c1-24-28(22-29(33)23-30(24)34)16-12-15-27-20-25(13-8-6-10-17-31(2,3)35)19-26(21-27)14-9-7-11-18-32(4,5)36/h12,15-16,19-21,29-30,33-36H,1,6-11,13-14,17-18,22-23H2,2-5H3/b15-12+,28-16-/t29-,30+/m1/s1
Definition date:	2022-04-13
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(1~{R},3~{S},5~{Z})-5-[(~{E})-3-[3,5-bis(6-methyl-6-oxidanyl-heptyl)phenyl]prop-2-enylidene]-4-methylidene-cyclohexane-1,3-diol

IV5

IV5
Name:	(1R,3S,5Z)-4-methylidene-5-[(E)-9-methyl-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]-9-oxidanyl-dec-2-enylidene]cyclohexane-1,3-diol
Formula:	C32 H50 O4
SMILES:	CC(C)(O)CCCCCc1cccc(c1)C(CCCCCC(C)(C)O)=CC=C2C[CH](O)C[CH](O)C2=C
InChi:	InChI=1S/C32H50O4/c1-24-27(22-29(33)23-30(24)34)18-17-26(15-9-7-11-20-32(4,5)36)28-16-12-14-25(21-28)13-8-6-10-19-31(2,3)35/h12,14,16-18,21,29-30,33-36H,1,6-11,13,15,19-20,22-23H2,2-5H3/b26-17+,27-18-/t29-,30+/m1/s1
Definition date:	2022-04-13
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-9-methyl-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]-9-oxidanyl-dec-2-enylidene]cyclohexane-1,3-diol

WUW

WUW
Name:	(1R,4R,5R,6S)-2-(methanesulfonyl)-4,6-dimethoxy-2-azabicyclo[3.3.1]nonane
Formula:	C11 H21 N O4 S
SMILES:	CS(=O)(=O)N1CC(OC)C2CC1CCC2OC
InChi:	InChI=1S/C11H21NO4S/c1-15-10-5-4-8-6-9(10)11(16-2)7-12(8)17(3,13)14/h8-11H,4-7H2,1-3H3/t8-,9-,10+,11+/m1/s1
Definition date:	2022-10-20
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(1R,4R,5R,6S)-2-(methanesulfonyl)-4,6-dimethoxy-2-azabicyclo[3.3.1]nonane

WV0

WV0
Name:	5-fluoro-1,3-dihydro-2H-indol-2-one
Formula:	C8 H6 F N O
SMILES:	Fc1cc2CC(=O)Nc2cc1
InChi:	InChI=1S/C8H6FNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
Definition date:	2022-10-20
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	5-fluoro-1,3-dihydro-2H-indol-2-one

XCK

XCK
Name:	N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucinamide
Formula:	C24 H36 N4 O4 S
SMILES:	CC(C)CC(NC(=O)OCC(C)(C)Sc1ccccc1)C(=O)NC(CC1CCNC1=O)C=N
InChi:	InChI=1S/C24H36N4O4S/c1-16(2)12-20(22(30)27-18(14-25)13-17-10-11-26-21(17)29)28-23(31)32-15-24(3,4)33-19-8-6-5-7-9-19/h5-9,14,16-18,20,25H,10-13,15H2,1-4H3,(H,26,29)(H,27,30)(H,28,31)/b25-14-/t17-,18-,20-/m0/s1
Definition date:	2022-11-11
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucinamide

XF8

XF8
Name:	(2-methyl-2-phenylsulfanyl-propyl) ~{N}-[(2~{S})-1-[[(2~{S},3~{S})-3-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
Formula:	C28 H42 N4 O9 S2
SMILES:	CC(C)CC(NC(=O)OCC(C)(C)Sc1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)(C(=O)NC1CC1)S(=O)(=O)O
InChi:	InChI=1S/C28H42N4O9S2/c1-17(2)14-21(31-26(36)41-16-27(3,4)42-20-8-6-5-7-9-20)24(34)32-22(15-18-12-13-29-23(18)33)28(37,43(38,39)40)25(35)30-19-10-11-19/h5-9,17-19,21-22,37H,10-16H2,1-4H3,(H,29,33)(H,30,35)(H,31,36)(H,32,34)(H,38,39,40)/t18-,21-,22-,28-/m0/s1
Definition date:	2022-11-14
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(2S,3S)-1-(cyclopropylamino)-2-hydroxy-3-[(N-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucyl)amino]-1-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butane-2-sulfonic acid

XFF

XFF
Name:	(2-methyl-2-phenylsulfanyl-propyl) ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
Formula:	C24 H37 N3 O8 S2
SMILES:	CC(C)CC(NC(=O)OCC(C)(C)Sc1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:	InChI=1S/C24H37N3O8S2/c1-15(2)12-18(27-23(31)35-14-24(3,4)36-17-8-6-5-7-9-17)21(29)26-19(22(30)37(32,33)34)13-16-10-11-25-20(16)28/h5-9,15-16,18-19,22,30H,10-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t16-,18-,19-,22-/m0/s1
Definition date:	2022-11-14
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(1S,2S)-1-hydroxy-2-[(N-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

XFR

XFR
Name:	(1R,2S)-1-hydroxy-2-[(N-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C24 H37 N3 O8 S2
SMILES:	CC(C)CC(NC(=O)OCC(C)(C)Sc1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:	InChI=1S/C24H37N3O8S2/c1-15(2)12-18(27-23(31)35-14-24(3,4)36-17-8-6-5-7-9-17)21(29)26-19(22(30)37(32,33)34)13-16-10-11-25-20(16)28/h5-9,15-16,18-19,22,30H,10-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t16-,18-,19-,22+/m0/s1
Definition date:	2022-11-14
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(1R,2S)-1-hydroxy-2-[(N-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

I90

I90
Name:	2-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-(3-nitrophenyl)pyridazin-3-one
Formula:	C25 H20 N6 O3
SMILES:	Cn1cc(cn1)c2cnc3ccc(CCN4N=C(C=CC4=O)c5cccc(c5)[N+]([O-])=O)cc3c2
InChi:	InChI=1S/C25H20N6O3/c1-29-16-21(15-27-29)20-12-19-11-17(5-6-23(19)26-14-20)9-10-30-25(32)8-7-24(28-30)18-3-2-4-22(13-18)31(33)34/h2-8,11-16H,9-10H2,1H3
Definition date:	2022-06-17
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	2-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-(3-nitrophenyl)pyridazin-3-one

I94

I94
Name:	~{N}-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxidanylidene-pyridazin-3-yl]-2-(trifluoromethyl)benzamide
Formula:	C28 H23 F3 N6 O2
SMILES:	CNC(=O)c1ccc(cc1C(F)(F)F)C2=NN(CCc3ccc4ncc(cc4c3)c5cnn(C)c5)C(=O)C=C2
InChi:	InChI=1S/C28H23F3N6O2/c1-32-27(39)22-5-4-18(13-23(22)28(29,30)31)25-7-8-26(38)37(35-25)10-9-17-3-6-24-19(11-17)12-20(14-33-24)21-15-34-36(2)16-21/h3-8,11-16H,9-10H2,1-2H3,(H,32,39)
Definition date:	2022-06-17
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	~{N}-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxidanylidene-pyridazin-3-yl]-2-(trifluoromethyl)benzamide

KGL

KGL
Name:	(1^4Z,5^2E)-6^3-(trifluoromethyl)-5^1,5^6-dihydro-1^1H-8-aza-2(3,6)-quinolina-5(1,3)-pyridazina-1(4,1)-pyrazola-6(1,4)-benzenacyclododecaphane-5^6,7-dione
Formula:	C30 H25 F3 N6 O2
SMILES:	FC(F)(F)c1cc2ccc1C(=O)NCCCCn3cc(cn3)c4cnc5ccc(CC[N]6N=C2C=CC6=O)cc5c4
InChi:	InChI=1S/C30H25F3N6O2/c31-30(32,33)25-15-20-4-5-24(25)29(41)34-10-1-2-11-38-18-23(17-36-38)22-14-21-13-19(3-6-26(21)35-16-22)9-12-39-28(40)8-7-27(20)37-39/h3-8,13-18H,1-2,9-12H2,(H,34,41)
Definition date:	2022-09-20
Last modified:	2022-11-18
Release date:	2022-11-23

0IE

0IE
Name:	Siphonaxanthin
Formula:	C40 H56 O4
SMILES:	CC1=C(CC(=O)C(CO)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C[CH]2C(=C[CH](O)CC2(C)C)C)C(C)(C)C[CH](O)C1
InChi:	InChI=1S/C40H56O4/c1-28(16-12-17-30(3)20-21-36-31(4)22-34(42)25-39(36,6)7)14-10-11-15-29(2)18-13-19-33(27-41)38(44)24-37-32(5)23-35(43)26-40(37,8)9/h10-22,34-36,41-43H,23-27H2,1-9H3/b11-10+,16-12+,18-13+,21-20+,28-14+,29-15+,30-17+,33-19+/t34-,35+,36-/m0/s1
Definition date:	2022-01-21
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3-(hydroxymethyl)-7,12,16-trimethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]-1-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-2-one

O1F

O1F
Name:	(5~{Z})-5-[(2,5-dimethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:	C12 H11 N O4 S2
SMILES:	COc1cc(C=C2SC(=S)NC2=O)c(OC)cc1O
InChi:	InChI=1S/C12H11NO4S2/c1-16-8-5-7(14)9(17-2)3-6(8)4-10-11(15)13-12(18)19-10/h3-5,14H,1-2H3,(H,13,15,18)/b10-4-
Definition date:	2022-08-25
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(5~{Z})-5-[(2,5-dimethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

OEI

OEI
Name:	2-[(phenylmethyl)amino]ethanol
Formula:	C9 H13 N O
SMILES:	OCCNCc1ccccc1
InChi:	InChI=1S/C9H13NO/c11-7-6-10-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
Synonyms:	2-(benzylamino)ethan-1-ol
Definition date:	2022-09-06
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	2-[(phenylmethyl)amino]ethanol

OF6

OF6
Name:	1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-~{N}-methyl-methanamine
Formula:	C11 H11 Cl N2 S
SMILES:	CNCc1csc(n1)c2cccc(Cl)c2
InChi:	InChI=1S/C11H11ClN2S/c1-13-6-10-7-15-11(14-10)8-3-2-4-9(12)5-8/h2-5,7,13H,6H2,1H3
Synonyms:	1-(2-(3-chlorophenyl)thiazol-4-yl)-N-methylmethanamine
Definition date:	2022-09-06
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-~{N}-methyl-methanamine

OG3

OG3
Name:	(1~{R})-1-(4-chlorophenyl)ethanamine
Formula:	C8 H10 Cl N
SMILES:	C[CH](N)c1ccc(Cl)cc1
InChi:	InChI=1S/C8H10ClN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3/t6-/m1/s1
Synonyms:	(R)-1-(4-chlorophenyl)ethan-1-amine
Definition date:	2022-09-07
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	(1~{R})-1-(4-chlorophenyl)ethanamine

0UR

0UR
Name:	Siphonein
Formula:	C52 H76 O5
SMILES:	CCCCCCCCCC=CC(=O)OCC(=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C[CH]1C(=C[CH](O)CC1(C)C)C)C(=O)CC2=C(C)C[CH](O)CC2(C)C
InChi:	InChI=1S/C52H76O5/c1-11-12-13-14-15-16-17-18-19-30-50(56)57-38-44(49(55)35-48-43(6)34-46(54)37-52(48,9)10)29-23-28-40(3)25-21-20-24-39(2)26-22-27-41(4)31-32-47-42(5)33-45(53)36-51(47,7)8/h19-33,45-47,53-54H,11-18,34-38H2,1-10H3/b21-20+,26-22+,28-23+,30-19-,32-31+,39-24+,40-25+,41-27+,44-29+/t45-,46+,47-/m0/s1
Definition date:	2022-01-21
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	[(2~{E},4~{E},6~{E},8~{E},10~{E},12~{E},14~{E},16~{E})-6,11,15-trimethyl-17-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]-2-[2-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]ethanoyl]heptadeca-2,4,6,8,10,12,14,16-octaenyl] (~{Z})-dodec-2-enoate

E3J

E3J
Name:	~{N}-(2-morpholin-4-ylethyl)-2-sulfanyl-benzamide
Formula:	C13 H18 N2 O2 S
SMILES:	Sc1ccccc1C(=O)NCCN2CCOCC2
InChi:	InChI=1S/C13H18N2O2S/c16-13(11-3-1-2-4-12(11)18)14-5-6-15-7-9-17-10-8-15/h1-4,18H,5-10H2,(H,14,16)
Definition date:	2021-12-23
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	~{N}-(2-morpholin-4-ylethyl)-2-sulfanyl-benzamide

JVF

JVF
Name:	~{N}-[2-(diethylamino)ethyl]-2-sulfanyl-benzamide
Formula:	C13 H20 N2 O S
SMILES:	CCN(CC)CCNC(=O)c1ccccc1S
InChi:	InChI=1S/C13H20N2OS/c1-3-15(4-2)10-9-14-13(16)11-7-5-6-8-12(11)17/h5-8,17H,3-4,9-10H2,1-2H3,(H,14,16)
Definition date:	2021-12-23
Last modified:	2022-11-18
Release date:	2022-11-23
Identifier:	~{N}-[2-(diethylamino)ethyl]-2-sulfanyl-benzamide

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