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PDB Info pages Status search Chemie search: 44339 results BIRD

A1BXZ

A1BXZ
Name:	N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
Formula:	C11 H12 N4 O S
SMILES:	O=C(NCc1nc(cs1)C1CC1)c1cc[NH]n1
InChi:	InChI=1S/C11H12N4OS/c16-11(8-3-4-13-15-8)12-5-10-14-9(6-17-10)7-1-2-7/h3-4,6-7H,1-2,5H2,(H,12,16)(H,13,15)
Definition date:	2025-02-24
Last modified:	2025-11-28
Release date:	2025-12-03
Identifier:	N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide

A1C1V

A1C1V
Name:	[(1R)-1-chloroethyl]benzene
Formula:	C8 H9 Cl
SMILES:	CC(Cl)c1ccccc1
InChi:	InChI=1S/C8H9Cl/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3/t7-/m1/s1
Definition date:	2025-11-24
Last modified:	2025-11-28
Release date:	2025-12-03
Identifier:	[(1R)-1-chloroethyl]benzene

A1CCQ

A1CCQ
Name:	(2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoic acid
Formula:	C9 H12 N2 O3
SMILES:	Oc1ccc(CC(NN)C(=O)O)cc1
InChi:	InChI=1S/C9H12N2O3/c10-11-8(9(13)14)5-6-1-3-7(12)4-2-6/h1-4,8,11-12H,5,10H2,(H,13,14)/t8-/m0/s1
Definition date:	2025-05-14
Last modified:	2025-11-28
Release date:	2025-12-03
Identifier:	(2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoic acid

A1CYY

A1CYY
Name:	2-[(1R)-2,2-difluorocyclopropyl]-N-[(1-methyl-1H-indazol-6-yl)methyl]aniline
Formula:	C18 H17 F2 N3
SMILES:	FC1(F)CC1c1ccccc1NCc1ccc2cnn(C)c2c1
InChi:	InChI=1S/C18H17F2N3/c1-23-17-8-12(6-7-13(17)11-22-23)10-21-16-5-3-2-4-14(16)15-9-18(15,19)20/h2-8,11,15,21H,9-10H2,1H3/t15-/m1/s1
Definition date:	2025-10-17
Last modified:	2025-11-28
Release date:	2025-12-03
Identifier:	2-[(1R)-2,2-difluorocyclopropyl]-N-[(1-methyl-1H-indazol-6-yl)methyl]aniline

A1EBW

A1EBW
Name:	Adriforant
Formula:	C13 H22 N6
SMILES:	CN[CH]1CCN(C1)c2cc(NCC3CC3)nc(N)n2
InChi:	InChI=1S/C13H22N6/c1-15-10-4-5-19(8-10)12-6-11(17-13(14)18-12)16-7-9-2-3-9/h6,9-10,15H,2-5,7-8H2,1H3,(H3,14,16,17,18)/t10-/m1/s1
Synonyms:	4-N-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine
Definition date:	2024-09-11
Last modified:	2025-11-28
Release date:	2025-12-03
Identifier:	~{N}4-(cyclopropylmethyl)-6-[(3~{R})-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine

A1I5Y

A1I5Y
Name:	(2~{S},9~{S},12~{R})-2-cyclohexyl-20,23-dimethoxy-12-methyl-11,14,18-trioxa-4-azatricyclo[17.2.2.0^{4,9}]tricosa-1(22),19(23),20-triene-3,10-dione
Formula:	C28 H41 N O7
SMILES:	COc1cc2cc(OC)c1OCCCOC[CH](C)OC(=O)[CH]3CCCCN3C(=O)[CH]2C4CCCCC4
InChi:	InChI=1S/C28H41NO7/c1-19-18-34-14-9-15-35-26-23(32-2)16-21(17-24(26)33-3)25(20-10-5-4-6-11-20)27(30)29-13-8-7-12-22(29)28(31)36-19/h16-17,19-20,22,25H,4-15,18H2,1-3H3/t19-,22+,25+/m1/s1
Definition date:	2025-03-12
Last modified:	2025-11-28
Release date:	2025-12-03
Identifier:	(2~{S},9~{S},12~{R})-2-cyclohexyl-20,23-dimethoxy-12-methyl-11,14,18-trioxa-4-azatricyclo[17.2.2.0^{4,9}]tricosa-1(22),19(23),20-triene-3,10-dione

A1JQT

A1JQT
Name:	~{N}'-[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]-~{N}-[(2~{S})-2-[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-8-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(2-methylbut-3-en-2-yloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,9-bis(oxidanyl)-6-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]propyl]tridecanediamide
Formula:	C67 H103 N5 O14 S
SMILES:	COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O[CH]3O[CH](COC(C)(C)C=C)[CH](O)[CH](O)[CH]3O)C4=C(C[CH](O)[C]4(C)C=C12)[CH](C)CNC(=O)CCCCCCCCCCCC(=O)N[CH](C(=O)N5C[CH](O)C[CH]5C(=O)NCc6ccc(cc6)c7scnc7C)C(C)(C)C
InChi:	InChI=1S/C67H103N5O14S/c1-12-66(8,9)84-37-50-56(78)57(79)58(80)64(85-50)86-59-54-47(31-51(74)67(54,10)32-48-44(36-83-11)28-29-46(48)40(3)55(59)77)39(2)33-68-52(75)22-20-18-16-14-13-15-17-19-21-23-53(76)71-61(65(5,6)7)63(82)72-35-45(73)30-49(72)62(81)69-34-42-24-26-43(27-25-42)60-41(4)70-38-87-60/h12,24-27,32,38-40,44-46,49-51,55-59,61,64,73-74,77-80H,1,13-23,28-31,33-37H2,2-11H3,(H,68,75)(H,69,81)(H,71,76)/b48-32-/t39-,40-,44-,45-,46+,49+,50-,51+,55-,56-,57+,58-,59-,61-,64-,67+/m1/s1
Definition date:	2025-09-30
Last modified:	2025-11-28
Release date:	2025-12-03
Identifier:	~{N}'-[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]-~{N}-[(2~{S})-2-[(1~{E},3~{R},4~{S},8~{R},9~{R},10~{R},11~{S},14~{S})-14-(methoxymethyl)-3,10-dimethyl-8-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(2-methylbut-3-en-2-yloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,9-bis(oxidanyl)-6-tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dienyl]propyl]tridecanediamide

A1JTC

A1JTC
Name:	(2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[2-[2-[2-[2-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
Formula:	C58 H82 N8 O14 S2
SMILES:	Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH](NC(=O)COCCOCCOCCOCCOCCOCC(=O)N[CH](C(=O)N4C[CH](O)C[CH]4C(=O)NCc5ccc(cc5)c6scnc6C)C(C)(C)C)C(C)(C)C)cc2
InChi:	InChI=1S/C58H82N8O14S2/c1-37-49(81-35-61-37)41-13-9-39(10-14-41)29-59-53(71)45-27-43(67)31-65(45)55(73)51(57(3,4)5)63-47(69)33-79-25-23-77-21-19-75-17-18-76-20-22-78-24-26-80-34-48(70)64-52(58(6,7)8)56(74)66-32-44(68)28-46(66)54(72)60-30-40-11-15-42(16-12-40)50-38(2)62-36-82-50/h9-16,35-36,43-46,51-52,67-68H,17-34H2,1-8H3,(H,59,71)(H,60,72)(H,63,69)(H,64,70)/t43-,44-,45+,46+,51-,52-/m1/s1
Synonyms:	homoPROTAC CM11
Definition date:	2025-10-29
Last modified:	2025-11-28
Release date:	2025-12-03
Identifier:	(2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[2-[2-[2-[2-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide

A1MAY

A1MAY
Name:	4-[4-{7-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-1,7-dicarba-closo-dodecaboran-1-yl}phenoxy]butyric acid
Formula:	C21 H26 B10 F6 O4
SMILES:	OC(=O)CCCOc1ccc(cc1)[C]2345[BH]678[BH]9%10%11[BH]6%12%13[BH]9%14%15[BH]%10%16%17[BH]27%11[BH]3%16%18[BH]4%19%20[BH]58%12[BH]%13%14%19[C]%15%17%18%20c%21ccc(cc%21)C(O)(C(F)(F)F)C(F)(F)F
InChi:	InChI=1S/C21H26B10F6O4/c32-18(33,34)17(40,19(35,36)37)12-3-5-13(6-4-12)20-22-21(14-7-9-15(10-8-14)41-11-1-2-16(38)39)23(20,22)25(20)27(21,23)29(21)26(21,22)24(20,22)28(20,25)30(24,26,29)31(25,27,28)29/h3-10,22-31,40H,1-2,11H2,(H,38,39)
Definition date:	2025-07-07
Last modified:	2025-11-28
Release date:	2025-12-03

A1MAZ

A1MAZ
Name:	5-[4-{7-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-1,7-dicarba-closo-dodecaboran-1-yl}phenoxy]pentanoic acid
Formula:	C22 H28 B10 F6 O4
SMILES:	OC(=O)CCCCOc1ccc(cc1)[C]2345[BH]678[BH]9%10%11[BH]6%12%13[BH]9%14%15[BH]%10%16%17[BH]27%11[BH]3%16%18[BH]4%19%20[BH]58%12[BH]%13%14%19[C]%15%17%18%20c%21ccc(cc%21)C(O)(C(F)(F)F)C(F)(F)F
InChi:	InChI=1S/C22H28B10F6O4/c33-19(34,35)18(41,20(36,37)38)13-4-6-14(7-5-13)21-23-22(15-8-10-16(11-9-15)42-12-2-1-3-17(39)40)24(21,23)26(21)28(22,24)30(22)27(22,23)25(21,23)29(21,26)31(25,27,30)32(26,28,29)30/h4-11,23-32,41H,1-3,12H2,(H,39,40)
Definition date:	2025-07-07
Last modified:	2025-11-28
Release date:	2025-12-03

A1BUF

A1BUF
Name:	(2M)-2-(2-amino-6-fluoro-4-methylquinolin-7-yl)-5-(aminomethyl)phenol
Formula:	C17 H16 F N3 O
SMILES:	NCc1ccc(c2cc3nc(N)cc(C)c3cc2F)c(O)c1
InChi:	InChI=1S/C17H16FN3O/c1-9-4-17(20)21-15-7-13(14(18)6-12(9)15)11-3-2-10(8-19)5-16(11)22/h2-7,22H,8,19H2,1H3,(H2,20,21)
Definition date:	2025-01-24
Last modified:	2025-11-28
Release date:	2025-12-03
Identifier:	(2M)-2-(2-amino-6-fluoro-4-methylquinolin-7-yl)-5-(aminomethyl)phenol

A1BYF

A1BYF
Name:	5-{[(cyclopropylmethyl)amino]methyl}-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
Formula:	C16 H21 N5 O S
SMILES:	O=C(NCc1nc(cs1)C1CC1)c1cc(CNCC2CC2)[NH]n1
InChi:	InChI=1S/C16H21N5OS/c22-16(18-8-15-19-14(9-23-15)11-3-4-11)13-5-12(20-21-13)7-17-6-10-1-2-10/h5,9-11,17H,1-4,6-8H2,(H,18,22)(H,20,21)
Definition date:	2025-02-26
Last modified:	2025-11-28
Release date:	2025-12-03
Identifier:	5-{[(cyclopropylmethyl)amino]methyl}-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide

A1CCR

A1CCR
Name:	(2S)-2-hydrazinyl-3-phenylpropanoic acid
Formula:	C9 H12 N2 O2
SMILES:	O=C(O)C(NN)Cc1ccccc1
InChi:	InChI=1S/C9H12N2O2/c10-11-8(9(12)13)6-7-4-2-1-3-5-7/h1-5,8,11H,6,10H2,(H,12,13)/t8-/m0/s1
Definition date:	2025-05-14
Last modified:	2025-11-28
Release date:	2025-12-03
Identifier:	(2S)-2-hydrazinyl-3-phenylpropanoic acid

A1CH3

A1CH3
Name:	6-[(4R,5S,6S)-6-hydroxy-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl][1,1'-biphenyl]-3-carbonitrile
Formula:	C21 H19 N3 O
SMILES:	N#Cc1ccc(C2C(O)CCCc3cncn32)c(c1)c1ccccc1
InChi:	InChI=1S/C21H19N3O/c22-12-15-9-10-18(19(11-15)16-5-2-1-3-6-16)21-20(25)8-4-7-17-13-23-14-24(17)21/h1-3,5-6,9-11,13-14,20-21,25H,4,7-8H2/t20-,21-/m0/s1
Definition date:	2025-07-09
Last modified:	2025-11-28
Release date:	2025-12-03
Identifier:	6-[(4R,5S,6S)-6-hydroxy-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl][1,1'-biphenyl]-3-carbonitrile

A1I5V

A1I5V
Name:	3-methyl-1~{H}-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:	C6 H7 N5
SMILES:	Cc1n[nH]c2ncnc(N)c12
InChi:	InChI=1S/C6H7N5/c1-3-4-5(7)8-2-9-6(4)11-10-3/h2H,1H3,(H3,7,8,9,10,11)
Definition date:	2025-03-11
Last modified:	2025-11-28
Release date:	2025-12-03
Identifier:	3-methyl-1~{H}-pyrazolo[3,4-d]pyrimidin-4-amine

A1IUQ

A1IUQ
Name:	(2~{S})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R})-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-~{N},~{N}-dimethyl-propanamide
Formula:	C29 H51 N O12
SMILES:	C[CH]1O[CH](O[CH]2CCCC[CH]2O[CH]3O[CH](CO)[CH](O)[CH](O[CH](CC4CCCCC4)C(=O)N(C)C)[CH]3O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C29H51NO12/c1-15-21(32)23(34)24(35)28(38-15)40-17-11-7-8-12-18(17)41-29-25(36)26(22(33)20(14-31)42-29)39-19(27(37)30(2)3)13-16-9-5-4-6-10-16/h15-26,28-29,31-36H,4-14H2,1-3H3/t15-,17+,18+,19-,20+,21+,22-,23+,24-,25+,26-,28-,29+/m0/s1
Definition date:	2024-11-20
Last modified:	2025-11-28
Release date:	2025-12-03
Identifier:	(2~{S})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R})-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-~{N},~{N}-dimethyl-propanamide

A1IUR

A1IUR
Name:	(2~{S})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R})-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-1-pyrrolidin-1-yl-propan-1-one
Formula:	C31 H53 N O12
SMILES:	C[CH]1O[CH](O[CH]2CCCC[CH]2O[CH]3O[CH](CO)[CH](O)[CH](O[CH](CC4CCCCC4)C(=O)N5CCCC5)[CH]3O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C31H53NO12/c1-17-23(34)25(36)26(37)30(40-17)42-19-11-5-6-12-20(19)43-31-27(38)28(24(35)22(16-33)44-31)41-21(15-18-9-3-2-4-10-18)29(39)32-13-7-8-14-32/h17-28,30-31,33-38H,2-16H2,1H3/t17-,19+,20+,21-,22+,23+,24-,25+,26-,27+,28-,30-,31+/m0/s1
Definition date:	2024-11-20
Last modified:	2025-11-28
Release date:	2025-12-03
Identifier:	(2~{S})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R})-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-1-pyrrolidin-1-yl-propan-1-one

A1IUU

A1IUU
Name:	(2~{S})-3-cyclohexyl-1-(3-ethylazetidin-1-yl)-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R})-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propan-1-one
Formula:	C32 H55 N O12
SMILES:	CCC1CN(C1)C(=O)[CH](CC2CCCCC2)O[CH]3[CH](O)[CH](CO)O[CH](O[CH]4CCCC[CH]4O[CH]5O[CH](C)[CH](O)[CH](O)[CH]5O)[CH]3O
InChi:	InChI=1S/C32H55NO12/c1-3-18-14-33(15-18)30(40)22(13-19-9-5-4-6-10-19)42-29-25(36)23(16-34)45-32(28(29)39)44-21-12-8-7-11-20(21)43-31-27(38)26(37)24(35)17(2)41-31/h17-29,31-32,34-39H,3-16H2,1-2H3/t17-,20+,21+,22-,23+,24+,25-,26+,27-,28+,29-,31-,32+/m0/s1
Definition date:	2024-11-20
Last modified:	2025-11-28
Release date:	2025-12-03
Identifier:	(2~{S})-3-cyclohexyl-1-(3-ethylazetidin-1-yl)-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R})-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propan-1-one

A1IVA

A1IVA
Name:	(1~{S},2~{S},4~{S},5~{R})-6-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-bis(oxidanylidene)-$l^{6}-phosphanyl]methyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxycyclohexane-1,2,3,4,5-pentol
Formula:	C17 H25 N5 O17 P3
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](=O)(=O)O[P](=O)(=O)C[P](=O)(=O)O[CH]4[CH](O)[CH](O)[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O
InChi:	InChI=1S/C17H25N5O17P3/c18-15-6-16(20-2-19-15)22(3-21-6)17-13(29)7(23)5(37-17)1-36-42(34,35)39-41(32,33)4-40(30,31)38-14-11(27)9(25)8(24)10(26)12(14)28/h2-3,5,7-14,17,23-29H,1,4H2,(H2,18,19,20)
Definition date:	2024-11-27
Last modified:	2025-11-28
Release date:	2025-12-03
Identifier:	(1~{S},2~{S},4~{S},5~{R})-6-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-bis(oxidanylidene)-$l^{6}-phosphanyl]methyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxycyclohexane-1,2,3,4,5-pentol

A1L1F

A1L1F
Name:	[(2~{Z},4~{E},6~{E},8~{E},10~{E},12~{E},14~{E})-17-[(4~{S},6~{R})-4-acetyloxy-2,2,6-trimethyl-6-oxidanyl-cyclohexylidene]-6,11,15-trimethyl-2-[(~{E})-2-[(1~{S},4~{S},6~{R})-2,2,6-trimethyl-4-oxidanyl-7-oxabicyclo[4.1.0]heptan-1-yl]ethenyl]heptadeca-2,4,6,8,10,12,14,16-octaenyl] octanoate
Formula:	C50 H72 O7
SMILES:	CCCCCCCC(=O)OCC(=CC=CC(C)=CC=CC=C(C)C=CC=C(C)[CH]=[C]=[C]1C(C)(C)C[CH](C[C]1(C)O)OC(C)=O)C=C[C]23O[C]2(C)C[CH](O)CC3(C)C
InChi:	InChI=1S/C50H72O7/c1-12-13-14-15-16-27-45(53)55-36-41(30-31-50-47(8,9)32-42(52)33-49(50,11)57-50)26-20-25-38(3)22-18-17-21-37(2)23-19-24-39(4)28-29-44-46(6,7)34-43(56-40(5)51)35-48(44,10)54/h17-26,28,30-31,42-43,52,54H,12-16,27,32-36H2,1-11H3/b18-17+,23-19+,25-20+,31-30+,37-21+,38-22+,39-24+,41-26-/t29-,42-,43-,48+,49+,50-/m0/s1
Definition date:	2024-05-03
Last modified:	2025-11-28
Release date:	2025-12-03
Identifier:	[(2~{Z},4~{E},6~{E},8~{E},10~{E},12~{E},14~{E})-17-[(4~{S},6~{R})-4-acetyloxy-2,2,6-trimethyl-6-oxidanyl-cyclohexylidene]-6,11,15-trimethyl-2-[(~{E})-2-[(1~{S},4~{S},6~{R})-2,2,6-trimethyl-4-oxidanyl-7-oxabicyclo[4.1.0]heptan-1-yl]ethenyl]heptadeca-2,4,6,8,10,12,14,16-octaenyl] octanoate

A1MAU

A1MAU
Name:	4-[4-{7-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-1,7-dicarba-closo-dodecaboran-1-yl}-2-methylphenoxy]butyric acid
Formula:	C22 H28 B10 F6 O4
SMILES:	Cc1cc(ccc1OCCCC(O)=O)[C]2345[BH]678[BH]9%10%11[BH]6%12%13[BH]9%14%15[BH]%10%16%17[BH]27%11[BH]3%16%18[BH]4%19%20[BH]%12%14([BH]58%13%19)[C]%15%17%18%20c%21ccc(cc%21)C(O)(C(F)(F)F)C(F)(F)F
InChi:	InChI=1S/C22H28B10F6O4/c1-12-11-15(8-9-16(12)42-10-2-3-17(39)40)22-23-21(14-6-4-13(5-7-14)18(41,19(33,34)35)20(36,37)38)24(22,23)26(21)28(22,24)30(22)27(22,23)25(21,23)29(21,26)31(25,27,30)32(26,28,29)30/h4-9,11,23-32,41H,2-3,10H2,1H3,(H,39,40)
Definition date:	2025-07-07
Last modified:	2025-11-28
Release date:	2025-12-03

A1MAV

A1MAV
Name:	(S)-5-[4-{7-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-1,7-dicarba-closo-dodecaboran-1-yl}phenoxy]-4-hydroxypentanoic acid
Formula:	C22 H28 B10 F6 O5
SMILES:	O[CH](CCC(O)=O)COc1ccc(cc1)[C]2345[BH]678[BH]9%10%11[BH]6%12%13[BH]9%14%15[BH]%10%16%17[BH]27%11[BH]3%16%18[BH]4%19%20[BH]58%12[BH]%13%14%19[C]%15%17%18%20c%21ccc(cc%21)C(O)(C(F)(F)F)C(F)(F)F
InChi:	InChI=1S/C22H28B10F6O5/c33-19(34,35)18(42,20(36,37)38)12-1-3-13(4-2-12)21-23-22(14-5-8-16(9-6-14)43-11-15(39)7-10-17(40)41)24(21,23)26(21)28(22,24)30(22)27(22,23)25(21,23)29(21,26)31(25,27,30)32(26,28,29)30/h1-6,8-9,15,23-32,39,42H,7,10-11H2,(H,40,41)/t15-/m1/s1
Definition date:	2025-07-07
Last modified:	2025-11-28
Release date:	2025-12-03

C9T

C9T
Name:	(2~{R})-2-methyloctanoic acid
Formula:	C9 H18 O2
SMILES:	CCCCCC[CH](C)C(O)=O
InChi:	InChI=1S/C9H18O2/c1-3-4-5-6-7-8(2)9(10)11/h8H,3-7H2,1-2H3,(H,10,11)/t8-/m1/s1
Definition date:	2017-11-23
Last modified:	2025-11-27
Release date:	2018-07-18
Identifier:	(2~{R})-2-methyloctanoic acid

A1IYF

A1IYF
Name:	LY-2090314
Formula:	C28 H25 F N6 O3
SMILES:	Fc1cc2CN(CCn3cc(c(c1)c23)C4=C(C(=O)NC4=O)c5cnc6ccccn56)C(=O)N7CCCCC7
InChi:	InChI=1S/C28H25FN6O3/c29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22/h2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2,(H,31,36,37)
Synonyms:	3-(6-fluoranyl-10-piperidin-1-ylcarbonyl-1,10-diazatricyclo[6.4.1.0^{4,13}]trideca-2,4,6,8(13)-tetraen-3-yl)-4-imidazo[1,2-a]pyridin-3-yl-pyrrole-2,5-dione
Definition date:	2025-01-10
Last modified:	2025-11-27
Release date:	2025-10-22
Identifier:	3-(6-fluoranyl-10-piperidin-1-ylcarbonyl-1,10-diazatricyclo[6.4.1.0^{4,13}]trideca-2,4,6,8(13)-tetraen-3-yl)-4-imidazo[1,2-a]pyridin-3-yl-pyrrole-2,5-dione

F6C

F6C
Name:	Chlorophyll F
Formula:	C55 H68 Mg N4 O6
SMILES:	C(CC(=O)OCC=C(/C)CCCC(C)CCCC(C)CCCC(C)C)C=9C=3N4C(=CC8=N5C(=Cc6c(C)c(CC)c7C=C1N(=C2C=3C(C(=O)C2=C1C)C(=O)OC)[Mg]45n67)C(/C=C)=C8C=O)C=9C
InChi:	InChI=1S/C55H69N4O6.Mg/c1-12-38-35(8)42-27-46-39(13-2)41(30-60)47(57-46)28-43-36(9)40(52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)29-45(38)56-42)23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4
Synonyms:	[methyl 9-ethenyl-14-ethyl-8-formyl-4,13,18-trimethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-3,4,23,25-tetradehydro-24,26-dihydrophorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]magnesium
Definition date:	2019-07-03
Last modified:	2025-11-24
Release date:	2020-01-15
Identifier:	[methyl 9-ethenyl-14-ethyl-8-formyl-4,13,18-trimethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-3,4,23,25-tetradehydro-24,26-dihydrophorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]magnesium

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