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A1EMM

A1EMM
Name:	~{N}-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-3-[2-[2-[2-[3-[[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]propanamide
Formula:	C66 H72 N10 O20 S4
SMILES:	COc1ccc(cc1)[S](=O)(=O)N(CC(N)=O)c2ccc(N(CC(N)=O)[S](=O)(=O)c3ccc(NC(=O)CCOCCOCCOCCOCCC(=O)Nc4ccc(cc4)[S](=O)(=O)N(CC(N)=O)c5ccc(N(CC(N)=O)[S](=O)(=O)c6ccc(OC)cc6)c7ccccc57)cc3)c8ccccc28
InChi:	InChI=1S/C66H72N10O20S4/c1-91-47-15-23-51(24-16-47)99(87,88)75(43-63(69)79)59-29-27-57(53-7-3-5-9-55(53)59)73(41-61(67)77)97(83,84)49-19-11-45(12-20-49)71-65(81)31-33-93-35-37-95-39-40-96-38-36-94-34-32-66(82)72-46-13-21-50(22-14-46)98(85,86)74(42-62(68)78)58-28-30-60(56-10-6-4-8-54(56)58)76(44-64(70)80)100(89,90)52-25-17-48(92-2)18-26-52/h3-30H,31-44H2,1-2H3,(H2,67,77)(H2,68,78)(H2,69,79)(H2,70,80)(H,71,81)(H,72,82)
Definition date:	2025-02-28
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	~{N}-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-3-[2-[2-[2-[3-[[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]propanamide

A1ISP

A1ISP
Name:	2-[(3S)-2,6-bis(oxidanylidene)piperidin-3-yl]-5-[(1S,2R,5S)-2-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]isoindole-1,3-dione
Formula:	C22 H26 N4 O4
SMILES:	CCN[CH]1CC[CH]2CC[CH]1N2c3ccc4C(=O)N([CH]5CCC(=O)NC5=O)C(=O)c4c3
InChi:	InChI=1S/C22H26N4O4/c1-2-23-16-7-4-12-5-8-17(16)25(12)13-3-6-14-15(11-13)22(30)26(21(14)29)18-9-10-19(27)24-20(18)28/h3,6,11-12,16-18,23H,2,4-5,7-10H2,1H3,(H,24,27,28)/t12-,16+,17-,18-/m0/s1
Definition date:	2024-10-25
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-5-[(1~{S},2~{R},5~{S})-2-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]isoindole-1,3-dione

A1AIR

A1AIR
Name:	1-[(4R,8R)-2-[(4M,7P)-7-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-4-(1-methyl-1H-indazol-5-yl)thieno[3,2-c]pyridin-6-yl]-4-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]propan-1-one
Formula:	C34 H32 F2 N6 O3 S
SMILES:	CCC(=O)N1CCn2nc(cc2C1C)c1nc(c2ccsc2c1c1c(F)cc(F)cc1OCCOC)c1ccc2n(C)ncc2c1
InChi:	InChI=1S/C34H32F2N6O3S/c1-5-29(43)41-9-10-42-27(19(41)2)17-25(39-42)33-31(30-24(36)15-22(35)16-28(30)45-12-11-44-4)34-23(8-13-46-34)32(38-33)20-6-7-26-21(14-20)18-37-40(26)3/h6-8,13-19H,5,9-12H2,1-4H3/t19-/m1/s1
Definition date:	2024-03-22
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	1-[(4R,8R)-2-[(4M,7P)-7-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-4-(1-methyl-1H-indazol-5-yl)thieno[3,2-c]pyridin-6-yl]-4-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]propan-1-one

A1EQJ

A1EQJ
Name:	2-cyano-N-[(3R)-1-[(3S)-3-ethyl-7-(ethylamino)-5-fluoranyl-2-oxidanylidene-1H-indol-3-yl]piperidin-3-yl]-2-azaspiro[3.3]heptane-6-carboxamide
Formula:	C25 H33 F N6 O2
SMILES:	CCNc1cc(F)cc2c1NC(=O)[C]2(CC)N3CCC[CH](C3)NC(=O)C4CC5(C4)CN(C5)C#N
InChi:	InChI=1S/C25H33FN6O2/c1-3-25(19-8-17(26)9-20(28-4-2)21(19)30-23(25)34)32-7-5-6-18(12-32)29-22(33)16-10-24(11-16)13-31(14-24)15-27/h8-9,16,18,28H,3-7,10-14H2,1-2H3,(H,29,33)(H,30,34)/t18-,25+/m1/s1
Definition date:	2025-05-15
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	2-cyano-~{N}-[(3~{R})-1-[(3~{S})-3-ethyl-7-(ethylamino)-5-fluoranyl-2-oxidanylidene-1~{H}-indol-3-yl]piperidin-3-yl]-2-azaspiro[3.3]heptane-6-carboxamide

A1IEO

A1IEO
Name:	methyl 4-chloranyl-3-sulfamoyl-benzoate
Formula:	C8 H8 Cl N O4 S
SMILES:	COC(=O)c1ccc(Cl)c(c1)[S](N)(=O)=O
InChi:	InChI=1S/C8H8ClNO4S/c1-14-8(11)5-2-3-6(9)7(4-5)15(10,12)13/h2-4H,1H3,(H2,10,12,13)
Definition date:	2024-06-13
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	methyl 4-chloranyl-3-sulfamoyl-benzoate

A1IEU

A1IEU
Name:	[(2~{R})-1-[[(2~{S})-1-[(3,4-dichlorophenyl)amino]-1-oxidanylidene-3-pyridin-2-yl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid
Formula:	C20 H24 Cl2 N3 O5 P
SMILES:	CC(C)C[CH](C(=O)N[CH](Cc1ccccn1)C(=O)Nc2ccc(Cl)c(Cl)c2)[P](O)(O)=O
InChi:	InChI=1S/C20H24Cl2N3O5P/c1-12(2)9-18(31(28,29)30)20(27)25-17(11-13-5-3-4-8-23-13)19(26)24-14-6-7-15(21)16(22)10-14/h3-8,10,12,17-18H,9,11H2,1-2H3,(H,24,26)(H,25,27)(H2,28,29,30)/t17-,18+/m0/s1
Definition date:	2024-06-17
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	[(2~{R})-1-[[(2~{S})-1-[(3,4-dichlorophenyl)amino]-1-oxidanylidene-3-pyridin-2-yl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid

A1L59

A1L59
Name:	iptriazopyrid
Formula:	C15 H15 F3 N6 O4 S
SMILES:	CC(C)[S](=O)(=O)Cc1nnc2n1c(ccc2C(=O)Nc3oc(C)nn3)C(F)(F)F
InChi:	InChI=1S/C15H15F3N6O4S/c1-7(2)29(26,27)6-11-21-22-12-9(4-5-10(24(11)12)15(16,17)18)13(25)19-14-23-20-8(3)28-14/h4-5,7H,6H2,1-3H3,(H,19,23,25)
Synonyms:	~{N}-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(propan-2-ylsulfonylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
Definition date:	2024-11-22
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	~{N}-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(propan-2-ylsulfonylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

A1ASE

A1ASE
Name:	8-(3,4-dihydroquinoline-1(2H)-carbonyl)-7-(2-hydroxyethoxy)-4-propyl-2H-1-benzopyran-2-one
Formula:	C24 H25 N O5
SMILES:	OCCOc1ccc2c(OC(=O)C=C2CCC)c1C(=O)N1CCCc2ccccc21
InChi:	InChI=1S/C24H25NO5/c1-2-6-17-15-21(27)30-23-18(17)10-11-20(29-14-13-26)22(23)24(28)25-12-5-8-16-7-3-4-9-19(16)25/h3-4,7,9-11,15,26H,2,5-6,8,12-14H2,1H3
Synonyms:	obex 5c
Definition date:	2024-05-16
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	8-(3,4-dihydroquinoline-1(2H)-carbonyl)-7-(2-hydroxyethoxy)-4-propyl-2H-1-benzopyran-2-one

A1AVV

A1AVV
Name:	N-{4-[(3-aminophenyl)ethynyl]phenyl}acetamide
Formula:	C16 H14 N2 O
SMILES:	O=C(C)Nc1ccc(cc1)C#Cc1cccc(N)c1
InChi:	InChI=1S/C16H14N2O/c1-12(19)18-16-9-7-13(8-10-16)5-6-14-3-2-4-15(17)11-14/h2-4,7-11H,17H2,1H3,(H,18,19)
Definition date:	2024-06-24
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	N-{4-[(3-aminophenyl)ethynyl]phenyl}acetamide

A1AZB

A1AZB
Name:	N-[(3M)-3-(2-carbamimidamido-4-methyl-1,3-thiazol-5-yl)phenyl]-4-fluorobenzamide
Formula:	C18 H16 F N5 O S
SMILES:	Cc1nc(NC(N)=N)sc1c1cccc(NC(=O)c2ccc(F)cc2)c1
InChi:	InChI=1S/C18H16FN5OS/c1-10-15(26-18(22-10)24-17(20)21)12-3-2-4-14(9-12)23-16(25)11-5-7-13(19)8-6-11/h2-9H,1H3,(H,23,25)(H4,20,21,22,24)
Definition date:	2024-07-15
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	N-[(3M)-3-(2-carbamimidamido-4-methyl-1,3-thiazol-5-yl)phenyl]-4-fluorobenzamide

A1B7W

A1B7W
Name:	Adagrasib
Formula:	C32 H35 Cl F N7 O2
SMILES:	CN1CCCC1COc1nc2CN(CCc2c(n1)N1CC(CC#N)N(CC1)C(=O)C(=C)F)c1cccc2cccc(Cl)c21
InChi:	InChI=1S/C32H35ClFN7O2/c1-21(34)31(42)41-17-16-40(18-23(41)11-13-35)30-25-12-15-39(28-10-4-7-22-6-3-9-26(33)29(22)28)19-27(25)36-32(37-30)43-20-24-8-5-14-38(24)2/h3-4,6-7,9-10,23-24H,1,5,8,11-12,14-20H2,2H3/t23-,24-/m0/s1
Synonyms:	[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile
Definition date:	2025-04-04
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile

A1B8A

A1B8A
Name:	3'-deoxy-3'-(L-lysylamino)adenosine 5'-(dihydrogen phosphate)
Formula:	C16 H27 N8 O7 P
SMILES:	NCCCCC(N)C(=O)NC1C(COP(=O)(O)O)OC(n2cnc3c(N)ncnc32)C1O
InChi:	InChI=1S/C16H27N8O7P/c17-4-2-1-3-8(18)15(26)23-10-9(5-30-32(27,28)29)31-16(12(10)25)24-7-22-11-13(19)20-6-21-14(11)24/h6-10,12,16,25H,1-5,17-18H2,(H,23,26)(H2,19,20,21)(H2,27,28,29)/t8-,9+,10+,12+,16+/m0/s1
Definition date:	2025-04-09
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	3'-deoxy-3'-(L-lysylamino)adenosine 5'-(dihydrogen phosphate)

A1A8B

A1A8B
Name:	(2S)-1-{[(S)-{[(1S,2R,3R,4S,5S,6R)-2-[(6-O-hexadecanoyl-beta-L-gulopyranosyl)oxy]-3,4,5-trihydroxy-6-{[beta-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)-beta-D-mannopyranosyl-(1->6)-alpha-D-mannopyranosyl]oxy}cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}-3-(hexadecanoyloxy)propan-2-yl 10-methyloctadecanoate
Formula:	C90 H105 O39 P
SMILES:	CCCCCCCCC(C)CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC1C(OC2OC(COC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C(O)C1OC1OC(COC(=O)CCCCCCCCCCCCCCC)C(O)C(O)C1O
InChi:	InChI=1S/C90H165O39P/c1-5-8-11-14-17-19-21-23-25-27-29-35-40-45-62(93)115-50-56(120-64(95)47-42-37-32-31-34-39-44-55(4)43-38-33-16-13-10-7-3)51-119-130(113,114)129-85-82(126-88-80(111)72(103)67(98)59(124-88)52-116-63(94)46-41-36-30-28-26-24-22-20-18-15-12-9-6-2)76(107)74(105)77(108)83(85)127-89-81(112)73(104)69(100)61(125-89)53-117-86-78(109)71(102)68(99)60(123-86)54-118-90-84(75(106)66(97)58(49-92)122-90)128-87-79(110)70(101)65(96)57(48-91)121-87/h55-61,65-92,96-112H,5-54H2,1-4H3,(H,113,114)/t55?,56?,57-,58-,59+,60-,61-,65-,66-,67-,68-,69-,70+,71+,72+,73+,74-,75+,76-,77+,78+,79+,80+,81+,82-,83-,84+,85-,86-,87+,88-,89-,90+/m1/s1
Definition date:	2024-09-19
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	(2S)-1-{[(S)-{[(1S,2R,3R,4S,5S,6R)-2-[(6-O-hexadecanoyl-beta-L-gulopyranosyl)oxy]-3,4,5-trihydroxy-6-{[beta-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)-beta-D-mannopyranosyl-(1->6)-alpha-D-mannopyranosyl]oxy}cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}-3-(hexadecanoyloxy)propan-2-yl 10-methyloctadecanoate

V9L

V9L
Name:	ortho-vanillin
Formula:	C8 H8 O3
SMILES:	COc1cccc(C=O)c1O
InChi:	InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-9)8(7)10/h2-5,10H,1H3
Synonyms:	3-methoxy-2-oxidanyl-benzaldehyde
Definition date:	2023-02-27
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	3-methoxy-2-oxidanyl-benzaldehyde

VDU

VDU
Name:	fluorolissoclimide
Formula:	C20 H30 F N O4
SMILES:	CC1(C)C[CH](F)C[C]2(C)[CH](C[CH](O)[CH]3CC(=O)NC3=O)C(=C)[CH](O)C[CH]12
InChi:	InChI=1S/C20H30FNO4/c1-10-13(6-15(24)12-5-17(25)22-18(12)26)20(4)9-11(21)8-19(2,3)16(20)7-14(10)23/h11-16,23-24H,1,5-9H2,2-4H3,(H,22,25,26)/t11-,12+,13-,14-,15-,16-,20+/m0/s1
Synonyms:	(3R)-3-[(1S)-2-[(1R,3S,4aS,7S,8aS)-7-fluoranyl-5,5,8a-trimethyl-2-methylidene-3-oxidanyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione
Definition date:	2023-09-12
Last modified:	2025-06-20
Release date:	2025-06-25
Identifier:	(3~{R})-3-[(1~{S})-2-[(1~{R},3~{S},4~{a}~{S},7~{S},8~{a}~{S})-7-fluoranyl-5,5,8~{a}-trimethyl-2-methylidene-3-oxidanyl-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione

YDD

YDD
Name:	[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5S)-3,4-bis(oxidanyl)-5-tetradecoxy-oxolan-2-yl]methyl hydrogen phosphate
Formula:	C29 H51 N5 O14 P2
SMILES:	CCCCCCCCCCCCCCO[CH]1O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)[CH](O)[CH]1O
InChi:	InChI=1S/C29H51N5O14P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-43-29-25(38)23(36)20(47-29)16-45-50(41,42)48-49(39,40)44-15-19-22(35)24(37)28(46-19)34-18-33-21-26(30)31-17-32-27(21)34/h17-20,22-25,28-29,35-38H,2-16H2,1H3,(H,39,40)(H,41,42)(H2,30,31,32)/t19-,20-,22-,23-,24-,25-,28-,29+/m1/s1
Definition date:	2019-11-08
Last modified:	2025-06-18
Release date:	2021-03-31
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-3,4-bis(oxidanyl)-5-tetradecoxy-oxolan-2-yl]methyl hydrogen phosphate

A1BUL

A1BUL
Name:	N-[(1S)-1-{(3M)-3-[4-chloro-3-(methanesulfonamido)-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl]-6-[3-(methanesulfonyl)-3-methylbut-1-yn-1-yl]pyridin-2-yl}-2-phenylethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide
Formula:	C39 H34 Cl F8 N7 O5 S2
SMILES:	CS(=O)(=O)Nc1nn(CC(F)(F)F)c2c1c(Cl)ccc2c1ccc(C#CC(C)(C)S(C)(=O)=O)nc1C(Cc1ccccc1)NC(=O)Cn1nc(c2c1C(F)(F)C1CC12)C(F)(F)F
InChi:	InChI=1S/C39H34ClF8N7O5S2/c1-36(2,61(3,57)58)15-14-21-10-11-22(23-12-13-26(40)30-32(23)55(19-37(41,42)43)52-35(30)53-62(4,59)60)31(49-21)27(16-20-8-6-5-7-9-20)50-28(56)18-54-34-29(33(51-54)39(46,47)48)24-17-25(24)38(34,44)45/h5-13,24-25,27H,16-19H2,1-4H3,(H,50,56)(H,52,53)/t24-,25+,27-/m0/s1
Definition date:	2025-01-27
Last modified:	2025-06-13
Release date:	2025-06-18
Identifier:	N-[(1S)-1-{(3M)-3-[4-chloro-3-(methanesulfonamido)-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl]-6-[3-(methanesulfonyl)-3-methylbut-1-yn-1-yl]pyridin-2-yl}-2-phenylethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide

A1BYB

A1BYB
Name:	4-{[(5-chloro-2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione
Formula:	C15 H11 Cl N2 O3
SMILES:	Clc1cc(CNc2cccc3C(=O)NC(=O)c32)c(O)cc1
InChi:	InChI=1S/C15H11ClN2O3/c16-9-4-5-12(19)8(6-9)7-17-11-3-1-2-10-13(11)15(21)18-14(10)20/h1-6,17,19H,7H2,(H,18,20,21)
Definition date:	2025-02-26
Last modified:	2025-06-13
Release date:	2025-06-18
Identifier:	4-{[(5-chloro-2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione

A1BYC

A1BYC
Name:	4-{[(5-bromo-2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione
Formula:	C15 H11 Br N2 O3
SMILES:	Brc1cc(CNc2cccc3C(=O)NC(=O)c32)c(O)cc1
InChi:	InChI=1S/C15H11BrN2O3/c16-9-4-5-12(19)8(6-9)7-17-11-3-1-2-10-13(11)15(21)18-14(10)20/h1-6,17,19H,7H2,(H,18,20,21)
Definition date:	2025-02-26
Last modified:	2025-06-13
Release date:	2025-06-18
Identifier:	4-{[(5-bromo-2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione

A1CDW

A1CDW
Name:	pentostatin 5'-phosphate
Formula:	C11 H17 N4 O7 P
SMILES:	O=P(O)(O)OCC1OC(CC1O)n1cnc2c1N=CNCC2O
InChi:	InChI=1S/C11H17N4O7P/c16-6-1-9(22-8(6)3-21-23(18,19)20)15-5-14-10-7(17)2-12-4-13-11(10)15/h4-9,16-17H,1-3H2,(H,12,13)(H2,18,19,20)/t6-,7+,8+,9+/m0/s1
Synonyms:	(8S)-3-(2-deoxy-5-O-phosphono-beta-D-threo-pentofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol
Definition date:	2025-05-21
Last modified:	2025-06-13
Release date:	2025-06-18
Identifier:	(8R)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol

A1EBZ

A1EBZ
Name:	(1Z,3E,5E,7S,8R,9S,10S,11R,13R,15S,16Z,18E,24S)-11-ethyl-2,7-dihydroxy-10-methyl-21,25-diazatetracyclo[22.2.1.08,15.09,13]heptacosa-1,3,5,16,18-pentaene-20,26,27-trione
Formula:	C29 H38 N2 O5
SMILES:	CC[CH]1C[CH]2C[CH]3C=CC=CC(=O)NCCC[CH]4NC(=O)C(=C(O)C=CC=C[CH](O)[CH]3[CH]2[CH]1C)C4=O
InChi:	InChI=1S/C29H38N2O5/c1-3-18-15-20-16-19-9-4-7-13-24(34)30-14-8-10-21-28(35)27(29(36)31-21)23(33)12-6-5-11-22(32)26(19)25(20)17(18)2/h4-7,9,11-13,17-22,25-26,32-33H,3,8,10,14-16H2,1-2H3,(H,30,34)(H,31,36)/b9-4-,11-5+,12-6+,13-7+,27-23-/t17-,18+,19+,20+,21-,22-,25+,26-/m0/s1
Definition date:	2024-09-14
Last modified:	2025-06-13
Release date:	2025-06-18

A1EDR

A1EDR
Name:	(1Z,3E,5E,7R,8S,10R,11R,12S,15S,16E,18E,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.07,15.08,12]octacosa-1,3,5,13,16,18-hexaene-20,27,28-trione
Formula:	C29 H36 N2 O4
SMILES:	CC[CH]1[CH](C)C[CH]2[CH]1C=C[CH]3C=CC=CC(=O)NCCC[CH]4NC(=O)C(=C(O)C=CC=C[CH]23)C4=O
InChi:	InChI=1S/C29H36N2O4/c1-3-20-18(2)17-23-21-10-5-6-12-25(32)27-28(34)24(31-29(27)35)11-8-16-30-26(33)13-7-4-9-19(21)14-15-22(20)23/h4-7,9-10,12-15,18-24,32H,3,8,11,16-17H2,1-2H3,(H,30,33)(H,31,35)/b9-4+,10-5+,12-6+,13-7+,27-25-/t18-,19+,20-,21+,22+,23-,24+/m1/s1
Definition date:	2024-10-15
Last modified:	2025-06-13
Release date:	2025-06-18

A1ELC

A1ELC
Name:	1-[(13~{S},15~{R})-4-bromanyl-15-(3-chloranyl-4-methoxy-phenyl)-8,12,16-triazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,8-pentaen-12-yl]ethanone
Formula:	C23 H21 Br Cl N3 O2
SMILES:	COc1ccc(cc1Cl)[CH]2C[CH]3N(CCc4nc5ccc(Br)cc5c(N2)c34)C(C)=O
InChi:	InChI=1S/C23H21BrClN3O2/c1-12(29)28-8-7-18-22-20(28)11-19(13-3-6-21(30-2)16(25)9-13)27-23(22)15-10-14(24)4-5-17(15)26-18/h3-6,9-10,19-20,27H,7-8,11H2,1-2H3/t19-,20+/m1/s1
Definition date:	2025-02-06
Last modified:	2025-06-13
Release date:	2025-06-18
Identifier:	1-[(13~{S},15~{R})-4-bromanyl-15-(3-chloranyl-4-methoxy-phenyl)-8,12,16-triazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,8-pentaen-12-yl]ethanone

A1ELJ

A1ELJ
Name:	(13~{S},15~{R})-15-(3-chloranyl-4-methoxy-phenyl)-12-ethanoyl-8,12,16-triazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,8-pentaene-4-carbonitrile
Formula:	C24 H21 Cl N4 O2
SMILES:	COc1ccc(cc1Cl)[CH]2C[CH]3N(CCc4nc5ccc(cc5c(N2)c34)C#N)C(C)=O
InChi:	InChI=1S/C24H21ClN4O2/c1-13(30)29-8-7-19-23-21(29)11-20(15-4-6-22(31-2)17(25)10-15)28-24(23)16-9-14(12-26)3-5-18(16)27-19/h3-6,9-10,20-21,28H,7-8,11H2,1-2H3
Definition date:	2025-02-07
Last modified:	2025-06-13
Release date:	2025-06-18
Identifier:	(13~{S},15~{R})-15-(3-chloranyl-4-methoxy-phenyl)-12-ethanoyl-8,12,16-triazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,8-pentaene-4-carbonitrile

A1IFR

A1IFR
Name:	5-[(1~{R})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole
Formula:	C13 H16 N2
SMILES:	C[CH](c1[nH]cnc1)c2cccc(C)c2C
InChi:	InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m1/s1
Synonyms:	(R)-4-(1-(2,3-dimethylphenyl)ethyl)-1H-imidazole
Definition date:	2024-06-25
Last modified:	2025-06-13
Release date:	2025-06-18
Identifier:	5-[(1~{R})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole

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