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IZY

IZY
Name:	Dolichol monophosphate beta-D-Mannose
Formula:	C31 H55 O9 P
SMILES:	C[CH](CCO[P](O)(=O)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
InChi:	InChI=1S/C31H55O9P/c1-22(2)11-7-12-23(3)13-8-14-24(4)15-9-16-25(5)17-10-18-26(6)19-20-38-41(36,37)40-31-30(35)29(34)28(33)27(21-32)39-31/h11,13,15,17,26-35H,7-10,12,14,16,18-21H2,1-6H3,(H,36,37)/b23-13+,24-15+,25-17-/t26-,27+,28+,29-,30-,31-/m0/s1
Synonyms:	[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] [(3~{S},6~{Z},10~{E},14~{E})-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] hydrogen phosphate
Definition date:	2022-04-22
Last modified:	2025-07-18
Release date:	2023-01-11
Identifier:	[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] [(3~{S},6~{Z},10~{E},14~{E})-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] hydrogen phosphate

PHZ

PHZ
Name:	1-PHENYLHYDRAZINE
Formula:	C6 H8 N2
SMILES:	NNc1ccccc1
InChi:	InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2
Synonyms:	phenyldiazane
Definition date:	2005-07-29
Last modified:	2025-07-17
Identifier:	phenylhydrazine

79I

79I
Name:	3-[(2S)-2-azanyl-3-azanylidene-propyl]pyrrolidin-2-one
Formula:	C7 H13 N3 O
SMILES:	N[CH](C[CH]1CCNC1=O)C=N
InChi:	InChI=1S/C7H13N3O/c8-4-6(9)3-5-1-2-10-7(5)11/h4-6,8H,1-3,9H2,(H,10,11)/b8-4+/t5-,6-/m0/s1
Definition date:	2021-09-28
Last modified:	2025-07-17
Release date:	2021-11-03
Identifier:	(3~{S})-3-[(2~{S})-2-azanyl-3-azanylidene-propyl]pyrrolidin-2-one

A
Name:	ADENOSINE-5'-MONOPHOSPHATE
Formula:	C10 H14 N5 O7 P
SMILES:	O=P(O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
Definition date:	1999-07-08
Last modified:	2025-07-17
Identifier:	5'-adenylic acid

PV6

PV6
Name:	2-sulfanylbenzamide
Formula:	C7 H7 N O S
SMILES:	O=C(N)c1ccccc1S
InChi:	InChI=1S/C7H7NOS/c8-7(9)5-3-1-2-4-6(5)10/h1-4,10H,(H2,8,9)
Definition date:	2023-05-05
Last modified:	2025-07-16
Release date:	2023-06-14
Identifier:	2-sulfanylbenzamide

ELA

ELA
Name:	Elaidic acid
Formula:	C18 H34 O2
SMILES:	O=C(O)CCCCCCC/C=C/CCCCCCCC
InChi:	InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+
Synonyms:	9-OCTADECENOIC ACID
Definition date:	1999-07-08
Last modified:	2025-07-16
Identifier:	(9E)-octadec-9-enoic acid

Z4W

Z4W
Name:	beta-D-lyxopyranose
Formula:	C5 H10 O5
SMILES:	OC1C(O)COC(O)C1O
InChi:	InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4+,5-/m1/s1
Synonyms:	beta-D-lyxose
Definition date:	2012-12-18
Last modified:	2025-07-15
Release date:	2020-07-29
Identifier:	beta-D-lyxopyranose

QQ7

QQ7
Name:	cucurbit[7]uril
Formula:	C42 H42 N28 O14
SMILES:	O=C1[N]2C[N]3C4C5[N](C[N]6C7C8[N](C[N]9C%10C%11[N](C[N]%12C%13C%14[N](C[N]%15C%16C%17[N](C[N]%18C%19C%20[N](C[N]1C%21C2N%22CN4C(=O)N5CN7C(=O)N8CN%10C(=O)N%11CN%13C(=O)N%14CN%16C(=O)N%17CN%19C(=O)N%20CN%21C%22=O)C%18=O)C%15=O)C%12=O)C9=O)C6=O)C3=O
InChi:	InChI=1S/C42H42N28O14/c71-29-43-1-44-16-18-48(30(44)72)4-52-20-22-56(34(52)76)8-60-24-26-64(38(60)80)12-68-28-27-67(41(68)83)11-63-25-23-59(37(63)79)7-55-21-19-51(33(55)75)3-47(29)17-15(43)45-2-46(16)32(74)50(18)6-54(20)36(78)58(22)10-62(24)40(82)66(26)14-70(28)42(84)69(27)13-65(25)39(81)61(23)9-57(21)35(77)53(19)5-49(17)31(45)73/h15-28H,1-14H2/t15-,16+,17+,18-,19-,20+,21+,22-,23-,24+,25+,26-,27-,28+
Definition date:	2010-02-01
Last modified:	2025-07-15

ZYH

ZYH
Name:	(2-cyclohexyl-1,3-benzoxazol-6-yl){3-[4-(pyrimidin-2-yl)piperazin-1-yl]azetidin-1-yl}methanone
Formula:	C25 H30 N6 O2
SMILES:	O=C(c1ccc2nc(oc2c1)C3CCCCC3)N6CC(N5CCN(c4ncccn4)CC5)C6
InChi:	InChI=1S/C25H30N6O2/c32-24(19-7-8-21-22(15-19)33-23(28-21)18-5-2-1-3-6-18)31-16-20(17-31)29-11-13-30(14-12-29)25-26-9-4-10-27-25/h4,7-10,15,18,20H,1-3,5-6,11-14,16-17H2
Definition date:	2010-10-26
Last modified:	2025-07-15
Identifier:	(2-cyclohexyl-1,3-benzoxazol-6-yl){3-[4-(pyrimidin-2-yl)piperazin-1-yl]azetidin-1-yl}methanone

3CD

3CD
Name:	3-(CHLOROACETYL) PYRIDINE ADENINE DINUCLEOTIDE
Formula:	C22 H28 Cl N6 O14 P2
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)[n+]5cccc(c5)C(=O)CCl)[CH](O)[CH]3O
InChi:	InChI=1S/C22H27ClN6O14P2/c23-4-11(30)10-2-1-3-28(5-10)21-17(33)15(31)12(41-21)6-39-44(35,36)43-45(37,38)40-7-13-16(32)18(34)22(42-13)29-9-27-14-19(24)25-8-26-20(14)29/h1-3,5,8-9,12-13,15-18,21-22,31-34H,4,6-7H2,(H3-,24,25,26,35,36,37,38)/p+1/t12-,13-,15-,16-,17-,18-,21-,22-/m1/s1
Synonyms:	3-CAPAD
Definition date:	2010-02-10
Last modified:	2025-07-15
Identifier:	[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-[3-(2-chloroethanoyl)pyridin-1-ium-1-yl]-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate

A1A2B

A1A2B
Name:	4-{(3S)-9-(cyclohexylmethyl)-5-[(3R,5R)-4-(3-fluoro-5-methoxyphenyl)-3,5-dimethylpiperazine-1-sulfonyl]-3-methyl-1,5,9-triazacyclododecane-1-sulfonyl}-N,N-dimethylaniline
Formula:	C38 H61 F N6 O5 S2
SMILES:	CC1CN(CC(C)N1c1cc(F)cc(OC)c1)S(=O)(=O)N1CCCN(CC2CCCCC2)CCCN(CC(C)C1)S(=O)(=O)c1ccc(cc1)N(C)C
InChi:	InChI=1S/C38H61FN6O5S2/c1-30-25-42(51(46,47)38-16-14-35(15-17-38)40(4)5)20-10-18-41(29-33-12-8-7-9-13-33)19-11-21-43(26-30)52(48,49)44-27-31(2)45(32(3)28-44)36-22-34(39)23-37(24-36)50-6/h14-17,22-24,30-33H,7-13,18-21,25-29H2,1-6H3/t30-,31+,32+/m0/s1
Definition date:	2024-08-16
Last modified:	2025-07-11
Release date:	2025-07-16
Identifier:	4-{(3S)-9-(cyclohexylmethyl)-5-[(3R,5R)-4-(3-fluoro-5-methoxyphenyl)-3,5-dimethylpiperazine-1-sulfonyl]-3-methyl-1,5,9-triazacyclododecane-1-sulfonyl}-N,N-dimethylaniline

A1AZA

A1AZA
Name:	2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-fluoro[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethan-1-one
Formula:	C21 H20 F2 N4 O2
SMILES:	Fc1cc(ccc1CC(=O)N1CCN(CC1)c1nc2ncc(F)cc2o1)C1CC1
InChi:	InChI=1S/C21H20F2N4O2/c22-16-11-18-20(24-12-16)25-21(29-18)27-7-5-26(6-8-27)19(28)10-15-4-3-14(9-17(15)23)13-1-2-13/h3-4,9,11-13H,1-2,5-8,10H2
Definition date:	2024-07-12
Last modified:	2025-07-11
Release date:	2025-07-16
Identifier:	2-(4-cyclopropyl-2-fluorophenyl)-1-[4-(6-fluoro[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethan-1-one

K5X

K5X
Name:	[(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C10 H14 F N2 O8 P
SMILES:	C[C]1(F)[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O
InChi:	InChI=1S/C10H14FN2O8P/c1-10(11)7(15)5(4-20-22(17,18)19)21-8(10)13-3-2-6(14)12-9(13)16/h2-3,5,7-8,15H,4H2,1H3,(H,12,14,16)(H2,17,18,19)/t5-,7-,8-,10-/m1/s1
Definition date:	2022-09-09
Last modified:	2025-07-11
Release date:	2025-07-16
Identifier:	[(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

A1BMF

A1BMF
Name:	(2E,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1-thiol
Formula:	C15 H26 S
SMILES:	C/C(C)=CCCC(C)=CCCC(C)=CCS
InChi:	InChI=1S/C15H26S/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+
Definition date:	2024-12-20
Last modified:	2025-07-11
Release date:	2025-07-16
Identifier:	(2E,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1-thiol

A1D9Z

A1D9Z
Name:	(2~{R},3~{R})-4-oxidanyl-3-propyl-2-[(3~{E},6~{S},7~{S},9~{E})-3,7,9-trimethyl-6,11-bis(oxidanyl)-2-oxidanylidene-undeca-3,9-dienyl]-2,3-dihydropyran-6-one
Formula:	C22 H34 O6
SMILES:	CCC[CH]1[CH](CC(=O)C(C)=CC[CH](O)[CH](C)CC(C)=CCO)OC(=O)C=C1O
InChi:	InChI=1S/C22H34O6/c1-5-6-17-20(26)13-22(27)28-21(17)12-19(25)15(3)7-8-18(24)16(4)11-14(2)9-10-23/h7,9,13,16-18,21,23-24,26H,5-6,8,10-12H2,1-4H3/b14-9+,15-7+/t16-,17-,18-,21+/m0/s1
Definition date:	2024-07-17
Last modified:	2025-07-11
Release date:	2025-07-16
Identifier:	(2~{R},3~{R})-4-oxidanyl-3-propyl-2-[(3~{E},6~{S},7~{S},9~{E})-3,7,9-trimethyl-6,11-bis(oxidanyl)-2-oxidanylidene-undeca-3,9-dienyl]-2,3-dihydropyran-6-one

A1EGA

A1EGA
Name:	2-methyl-~{N}-(4-piperidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
Formula:	C17 H19 F3 N4 O3 S
SMILES:	Cn1nc(cc1C(=O)Nc2ccc(cc2)[S](=O)(=O)N3CCCCC3)C(F)(F)F
InChi:	InChI=1S/C17H19F3N4O3S/c1-23-14(11-15(22-23)17(18,19)20)16(25)21-12-5-7-13(8-6-12)28(26,27)24-9-3-2-4-10-24/h5-8,11H,2-4,9-10H2,1H3,(H,21,25)
Definition date:	2024-11-22
Last modified:	2025-07-11
Release date:	2025-07-16
Identifier:	2-methyl-~{N}-(4-piperidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide

A1IHD

A1IHD
Name:	1-[(3~{R})-3-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one
Formula:	C22 H20 Cl F N4 O3
SMILES:	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O[CH]4CCN(C4)C(=O)C=C
InChi:	InChI=1S/C22H20ClFN4O3/c1-3-21(29)28-7-6-14(11-28)31-20-9-15-18(10-19(20)30-2)25-12-26-22(15)27-13-4-5-17(24)16(23)8-13/h3-5,8-10,12,14H,1,6-7,11H2,2H3,(H,25,26,27)/t14-/m1/s1
Definition date:	2024-07-08
Last modified:	2025-07-11
Release date:	2025-07-16
Identifier:	1-[(3~{R})-3-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypyrrolidin-1-yl]prop-2-en-1-one

A1INE

A1INE
Name:	Sulphostin
Formula:	C5 H13 N4 O5 P S
SMILES:	N[CH]1CCCN(C1=O)[P](N)(=O)N[S](O)(=O)=O
InChi:	InChI=1S/C5H13N4O5PS/c6-4-2-1-3-9(5(4)10)15(7,11)8-16(12,13)14/h4H,1-3,6H2,(H3,7,8,11)(H,12,13,14)/t4-,15-/m0/s1
Synonyms:	[azanyl-[(3~{S})-3-azanyl-2-oxidanylidene-piperidin-1-yl]phosphoryl]sulfamic acid
Definition date:	2024-09-06
Last modified:	2025-07-11
Release date:	2025-07-16
Identifier:	[azanyl-[(3~{S})-3-azanyl-2-oxidanylidene-piperidin-1-yl]phosphoryl]sulfamic acid

A1INF

A1INF
Name:	azanyl-oxidanylidene-(sulfoamino)phosphanium
Formula:	H4 N2 O4 P S
SMILES:	N[P+](=O)N[S](O)(=O)=O
InChi:	InChI=1S/H3N2O4PS/c1-7(3)2-8(4,5)6/h(H3-,1,2,3,4,5,6)/p+1
Definition date:	2024-09-06
Last modified:	2025-07-11
Release date:	2025-07-16
Identifier:	azanyl-oxidanylidene-(sulfoamino)phosphanium

A1IUM

A1IUM
Name:	(3~{S},3~{a}~{S},6~{a}~{R})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonyl]-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide
Formula:	C33 H39 N5 O6
SMILES:	COc1cccc2[nH]c(cc12)C(=O)N3C[CH]4CCC[CH]4[CH]3C(=O)N[CH](C[CH]5CCNC5=O)[CH](O)C(=O)NCc6ccccc6
InChi:	InChI=1S/C33H39N5O6/c1-44-27-12-6-11-24-23(27)16-26(36-24)33(43)38-18-21-9-5-10-22(21)28(38)31(41)37-25(15-20-13-14-34-30(20)40)29(39)32(42)35-17-19-7-3-2-4-8-19/h2-4,6-8,11-12,16,20-22,25,28-29,36,39H,5,9-10,13-15,17-18H2,1H3,(H,34,40)(H,35,42)(H,37,41)/t20-,21-,22-,25-,28-,29+/m0/s1
Definition date:	2024-11-20
Last modified:	2025-07-11
Release date:	2025-07-16
Identifier:	(3~{S},3~{a}~{S},6~{a}~{R})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonyl]-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide

A1IZU

A1IZU
Name:	6-(4-imidazo[1,2-a]pyridin-8-yl-2-methyl-phenyl)-1,5-dimethyl-pyrimidine-2,4-dione
Formula:	C20 H18 N4 O2
SMILES:	CN1C(=O)NC(=O)C(=C1c2ccc(cc2C)c3cccn4ccnc34)C
InChi:	InChI=1S/C20H18N4O2/c1-12-11-14(16-5-4-9-24-10-8-21-18(16)24)6-7-15(12)17-13(2)19(25)22-20(26)23(17)3/h4-11H,1-3H3,(H,22,25,26)
Definition date:	2025-01-27
Last modified:	2025-07-11
Release date:	2025-07-16
Identifier:	6-(4-imidazo[1,2-a]pyridin-8-yl-2-methyl-phenyl)-1,5-dimethyl-pyrimidine-2,4-dione

A1IZV

A1IZV
Name:	6-(3-fluoranyl-5-furo[3,2-c]pyridin-4-yloxy-pyridin-2-yl)-1,5-dimethyl-pyrimidine-2,4-dione
Formula:	C18 H13 F N4 O4
SMILES:	CN1C(=O)NC(=O)C(=C1c2ncc(Oc3nccc4occc34)cc2F)C
InChi:	InChI=1S/C18H13FN4O4/c1-9-15(23(2)18(25)22-16(9)24)14-12(19)7-10(8-21-14)27-17-11-4-6-26-13(11)3-5-20-17/h3-8H,1-2H3,(H,22,24,25)
Definition date:	2025-01-27
Last modified:	2025-07-11
Release date:	2025-07-16
Identifier:	6-(3-fluoranyl-5-furo[3,2-c]pyridin-4-yloxy-pyridin-2-yl)-1,5-dimethyl-pyrimidine-2,4-dione

A1L9H

A1L9H
Name:	(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexyl)carbonylamino]propanoic acid
Formula:	C19 H27 N O3
SMILES:	CC(C)[CH]1CC[CH](CC1)C(=O)N[CH](Cc2ccccc2)C(O)=O
InChi:	InChI=1S/C19H27NO3/c1-13(2)15-8-10-16(11-9-15)18(21)20-17(19(22)23)12-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,20,21)(H,22,23)/t15-,16+,17-/m0/s1
Synonyms:	nateglinide
Definition date:	2025-05-01
Last modified:	2025-07-11
Release date:	2025-07-16
Identifier:	(2~{R})-3-phenyl-2-[(4-propan-2-ylcyclohexyl)carbonylamino]propanoic acid

P32

P32
Name:	Cyanopindolol
Formula:	C16 H21 N3 O2
SMILES:	N#CC2=Nc1cccc(OCC(O)CNC(C)(C)C)c1C2
InChi:	InChI=1S/C16H21N3O2/c1-16(2,3)18-9-12(20)10-21-15-6-4-5-14-13(15)7-11(8-17)19-14/h4-6,12,18,20H,7,9-10H2,1-3H3/t12-/m0/s1
Synonyms:	4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile
Definition date:	2008-05-09
Last modified:	2025-07-10
Identifier:	4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile

AS
Name:	2-DEOXY-ADENOSINE -5'-THIO-MONOPHOSPHATE
Formula:	C10 H14 N5 O5 P S
SMILES:	S=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O
InChi:	InChI=1S/C10H14N5O5PS/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(20-7)2-19-21(17,18)22/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,22)/t5-,6+,7+/m0/s1
Definition date:	1999-07-08
Last modified:	2025-07-09
Identifier:	2'-deoxy-5'-O-thiophosphonoadenosine

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